1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester

CAS 19851-61-7 · C₂₂H₁₈O₄ · MW 346.4 g/mol

关于 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester

1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester 是一种化学品，登记号为 CAS 19851-61-7，分子式为 C₂₂H₁₈O₄，摩尔质量为 346.4 g/mol。

该分子包含 44 个原子，通过 46 个化学键连接。该化合物的完整系统 IUPAC 名称为 dibenzyl benzene-1,4-dicarboxylate。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = 5.3 (正值，亲脂性化合物)，极性表面积 PSA = 52.6 Å²，0 个氢键供体和 4 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Molecular formula	C₂₂H₁₈O₄
Masa molowa	346.4 g/mol
IUPAC	dibenzyl benzene-1,4-dicarboxylate
SMILES	`C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3`
InChIKey	`IWGFEQWCMAADJZ-UHFFFAOYSA-N`
logP (XLogP3)	5.3
PSA	52.6 Å²
HBD / HBA	0 / 4
PubChem CID	CID 88280 ↗

GHS 安全

Signal word: Warning

GHS07

H317 — Może powodować reakcję alergiczną skóry

科学文献

Related literature

20 articles · 13 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (20 articles)

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Mechanochemical synthesis, luminescent and magnetic properties of lanthanide benzene-1,4-dicarboxylate coordination polymers (Ln(0.5)Gd(0.5))(2) (1,4-BDC)(3)(H2O)(4); Ln = Sm, Eu, Tb

Gupta, Shalabh, Biswas, Anis, Zhou, Lin et al. (2020)

Cytowania: 28Open AccessDOI ↗PDF ↗

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Dependence of intrinsic flame resistance on the substitution pattern of benzene dicarboxylate-based epoxy resins

Florian Bauer, Benedikt Röber, Gerd Wehnert et al. (2026) · Polymer Testing

Cytowania: 1Open AccessDOI ↗PDF ↗

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Poly[[dodecaaqua(μ4-benzene-1,4-dicarboxylato)(μ2-4,4′-bipyridine-κ2N:N′)dicerium(III)] bis(benzene-1,4-dicarboxylate)]

Yoshiyuki Sakamoto, Shinji Inagaki, Hitoshi Kumagai et al. (2012) · International Union of Crystallography

Cytowania: 2Open AccessDOI ↗PDF ↗

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catena-Poly[[aquabis(N6-benzyladenine-κN3)copper(II)]-μ-benzene-1,4-dicarboxylato-κ2O1:O4]

Wen-Bo Li (2011) · International Union of Crystallography

Cytowania: 2Open AccessDOI ↗PDF ↗

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Dependence of Intrinsic Flame Resistance and Crosslinking Density on the Substitution Pattern of Benzene Dicarboxylate-Based Epoxy Resins

Florian Bauer, Benedikt Röber, Gerd Wehnert et al. (2026)

Open AccessDOI ↗PDF ↗

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Bis[diethyl(hydroxy)ammonium] benzene-1,4-dicarboxylate

Hai-Bin Wang, De-Ming Xie, Hai-Xiang Chen et al. (2010) · International Union of Crystallography

Cytowania: 1Open AccessDOI ↗PDF ↗

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2-Phenylimidazolium hemi(benzene-1,4-dicarboxylate) trihydrate

Heng-Da Li (2011) · International Union of Crystallography

Cytowania: 1Open AccessDOI ↗PDF ↗

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catena-Poly[[[aqua(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4-dicarboxylato] benzene-1,4-dicarboxylic acid hemisolvate]

Weihe Han, Zhuanzhuan Wang, Zhihong Liu (2009) · International Union of Crystallography

Cytowania: 1Open AccessDOI ↗PDF ↗

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Poly[di-μ4-benzene-1,4-dicarboxylato-μ6-succinato-diholmium(III)]

Bao-Jun Huang, Qin He (2008) · International Union of Crystallography

Cytowania: 1Open AccessDOI ↗PDF ↗

The thermodynamics of hydrocarbon solutions - II. The systems benzene+diphenyl, benzene+diphenylmethane and benzene+dibenzyl

D. H. Everett, Mary Frances Penney (1952) · Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences

Cytowania: 17$ PaywallDOI ↗

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Dibenzyl-(1S*,2S*)-2,3-dihydro-1H-indene-1,2-dicarboxylate

Diego Olivieri, Riccardo Tarroni, Carla Carfagna (2023) · Molbank

Open AccessDOI ↗PDF ↗

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Application of Synthesized Metal Organic Frameworks of Silver Benzene-1, 4-Dicarboxylate on Crude Oil Spill

(2023) · Chemical Process Equipment

Open AccessDOI ↗PDF ↗

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Mechanochemical synthesis, luminescent and magnetic properties of lanthanide benzene-1,4-dicarboxylate coordination polymers (Ln0.5Gd0.5)2 (1,4-BDC)3(H2O)4; Ln = Sm, Eu, Tb

Hlova, Ihor, Pecharsky, Vitalij, Gupta, Shalabh et al. (2020)

Open AccessPDF ↗

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catena-Poly[[aqua(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4-dicarboxylato]

Hongping Hu (2009) · International Union of Crystallography

Open AccessDOI ↗PDF ↗

The Synthesis of Dibenzyl trans‐{7‐oxo‐3‐phenyl‐6‐phenylacetamido‐1‐azabicyclo [3.2.0]heptane}‐2,2‐dicarboxylate (Carbapenam)

Gholam Hosein Hakimelahi, Antonio Ugolini, George Just (1982) · Helvetica Chimica Acta

Cytowania: 8$ PaywallDOI ↗

Synthesis and analysis of O,O′-dicarboxylate (dibenzyl) bispilocarpates as possible prodrugs of pilocarpine

Tomi Järvinen, Pekka Suhonen, Seppo Auriola et al. (1992) · Journal of Pharmaceutical and Biomedical Analysis

Cytowania: 5$ PaywallDOI ↗

Nitrogen-Doped Carbon Dots/2D Nickel-Benzene-1,4-Dicarboxylate MetalOrganic Framework Nanocomposites as Stabilizers for Pickering Emulsion Lubricants

$ PaywallDOI ↗

Nitrogen-Doped Carbon Dots/2D Nickel-Benzene-1,4-Dicarboxylate MetalOrganic Framework Nanocomposites as Stabilizers for Pickering Emulsion Lubricants

$ PaywallDOI ↗

Nitrogen-Doped Carbon Dots/2D Nickel-Benzene-1,4-Dicarboxylate MetalOrganic Framework Nanocomposites as Stabilizers for Pickering Emulsion Lubricants

$ PaywallDOI ↗

Comparative OHD-RIKES Study of the Low-Frequency (0250 cm1) Vibrational Dynamics of Dibenzyl- and Monobenzyl-Substituted Imidazolium Ionic Liquids and Benzene/Dimethylimidazolium Mixtures

$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester · RefChem:416046 · Dibenzyl terephthalate · 19851-61-7 · dibenzyl benzene-1,4-dicarboxylate · 1,4-Benzenedicarboxylic acid, 1,4-bis(phenylmethyl) ester · MFCD00075729 · 1,4-Benzenedicarboxylic Acid, Bis(phenylmethyl) Ester; · terephthalic acid dibenzyl ester · EINECS 243-370-0 · 1,4-Dibenzyl terephthalate · SCHEMBL312287 · Terephthalic acid, dibenzyl ester · IWGFEQWCMAADJZ-UHFFFAOYSA-N · FT70695

数据来源

📊 PubChem CID 88280 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność