Dimethyl 4,4'-biphenyldicarboxylate (HCID 13099)

概要

Nissel has been investigated for the treatment of Chronic Liver Disease.

名称と識別子

優先名称: Dimethyl 4,4'-biphenyldicarboxylate
IUPAC: methyl 4-(4-methoxycarbonylphenyl)benzoate
現地名: 4,4'-ビフェニルジカルボン酸ジメチル
英語名: Biphenyl dimethyl dicarboxylate
分子式: C16H14O4
分子量: 270.28

名称と別名

792-74-5dimethyl [1,1'-biphenyl]-4,4'-dicarboxylateBiphenyl dimethyl dicarboxylateDIMETHYL 4,4'-BIPHENYLDICARBOXYLATENissel4,4'-Biphenyldicarboxylic acid, dimethyl ester4,4'-Bis(methoxycarbonyl)biphenylK61BXA0U9CHSDB 5754Dimethyl (1,1'-biphenyl)-4,4'-dicarboxylateEINECS 212-341-44,4'-dimethyl [1,1'-biphenyl]-4,4'-dicarboxylate

名称をさらに表示

4,4'-ビフェニルジカルボン酸ジメチル4,4'-ビ安息香酸ジメチル1,1'-ビフェニル-4,4'-ジカルボン酸ジメチル(1,1'-ビフェニル)-4,4'-ジカルボン酸ジメチルビフェニル-4,4'-ジカルボン酸ジメチルジフェニルジカルボン酸ジメチルエステルビフェニルジカルボン酸ジメチルエステル[1,1'-ビフェニル]-4,4'-二カルボン酸ジメチルビフェニル-4,4'-ジカルボン酸ジメチル, 98%4,4′-ビフェニルジカルボン酸ジメチル1,1′-ビフェニル-4,4′-ジカルボン酸ジメチル4,4′-ビ安息香酸ジメチルビフェニル-4,4′-ジカルボン酸ジメチルビフェニル-4,4′-ビス(カルボン酸メチル)4,4'-ジメチル [1,1'-ビフェニル]-4,4'-ジカルボキシラート(1,1′-ビフェニル)-4,4′-ジカルボン酸ジメチルビフェニル-4,4′-ジ(カルボン酸メチル)B.D.D.v025-46DPDCA-MERARECHEM AL BF 1412TIMTEC-BB SBB005981Biphenyl 4,4-dimethyDIMETHYL 4,4'-DIBENZOATE4,4-Dicarboxymethylbiphenyl

(1,1'-Biphenyl)-4,4'-dicarboxylic acid, 4,4'-dimethyl esterDIMETHYL 4,4'-BIPHENYLDICARBOXYLATE [WHO-DD]4,4'-Dimethyl (1,1'-biphenyl)-4,4'-dicarboxylate[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 4,4'-dimethyl esterRefChem:5881864,4'Biphenyldicarboxylic acid, dimethyl ester(1,1'Biphenyl)4,4'dicarboxylic acid, dimethyl esterDimethyl biphenyl-4,4'-dicarboxylate

データベース識別子

CAS: 792-74-5
PubChem CID: 13099
DTXSID: DTXSID2061143
ChEMBL: CHEMBL4297409
UNII: K61BXA0U9C
EC Number: 212-341-4
Nikkaji: J56.222J

物性

構造計算による物性

XLogP: 3.9
極性表面積: 52.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 20
形式電荷: 0
複雑度: 302

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Aromatic Compounds

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesChemical diffusion

Physical DescriptionFine faintly red crystals; [MSDSonline]

物理化学的性質

融点: 213 · 213-215 °C (lit.)
沸点: 373.4 °C · 373.4°C (rough estimate)
比重(密度): 1.2117 · 1.2117 (rough estimate)
屈折率: 1.5447 · 1.5447 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: ベンゼン（微熱、超音波処理）、クロロホルム（微熱、超音波処理）
外見: 個体
色: ホワイトからオフホワイト
水溶解度: 水に不溶。
BRN: 2055852 · 2055852
InChI: 1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3
InChIKey: BKRIRZXWWALTPU-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(cc1)-c2ccc(cc2)C(=O)OC
CAS データベース: 792 · 792-74-5(CAS DataBase Reference)
NISTの化学物質情報: 1 · [1,1'-Biphenyl]-4,4'-dicarboxylic acid, dimethyl ester(792-74-5)
EPAの化学物質情報: 1 · [1,1'-Biphenyl]-4,4'-dicarboxylic acid, dimethyl ester (792-74-5)

化学的性質

化学的特性White or cream crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazards SummaryMay cause irritation; [MSDSonline] See Biphenyl.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

毒性情報

Non-Human Toxicity ExcerptsDimethyl biphenyldicarboxylate provides protective action against CCl4 induced liver lesions in mice and decreases liver glutamate pyruvate transaminase levels.

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29173990
化審法: (4)-832
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids
有毒物質データの: 792-74-5(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 2 件

Used to make insect growth regulators; [HSDB]

USED IN PREPN OF INSECT GROWTH REGULATORS

General Manufacturing Information[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 4,4'-dimethyl ester: INACTIVE

応用分野 · 2 件

使用Dimethyl biphenyl-4,4'-dicarboxylate is used as a hepatoprotectant in the treatment of chronic hepatitis. At 250 μg/ml, it has been shown to stimulate JAK/STAT signaling and to induce the expression of interferon-α stimulated genes in a HepG2 cell line. It has been used to study hepatic fibrosis and chronic hepatocellular damage. It appears to normalize alanine aminotransferase (ALT) in cases where levels of ALT are elevated. It may be employed as starting reagent for the synthesis of dimethyl 2-fluoro-and 2,2-difluorobiphenyl-4,4-dicarboxylates.

一般的な説明Dimethyl biphenyl-4,4′-dicarboxylate is a planar biphenyldicarboxylic acid ester. Crystal data of dimethyl biphenyl-4, 4′-dicarboxylate has been reported.

上流・下流製品情報

下流製品

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

上海博尼麦德新材料科技有限公司13764849732 13764849732

4,4'-ビフェニルジカルボン酸ジメチル

基本情報

概要