CAS 110928-44-4 Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester (HCID 11073869)

名称と識別子

優先名称: Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester
IUPAC: methyl 4-(hydroxymethyl)cyclohexane-1-carboxylate
英語名: (1r,4r)-methyl 4-(hydroxymethyl)cyclohexanecarboxylate
分子式: C9H16O3
分子量: 172.22

名称と別名

methyl 4-(hydroxymethyl)cyclohexanecarboxylate13380-85-3Methyl 4-hydroxymethylcyclohexanecarboxylateCyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester1-(Carbomethoxy)cyclohexane-4-carbinol93403M505F4-Hydroxymethylcyclohexanecarboxylic acid methyl esterRefChem:1082523110928-44-4trans-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate110928-45-5(1r,4r)-methyl 4-(hydroxymethyl)cyclohexanecarboxylate

名称をさらに表示

trans-Methyl 4-(hydroxymethyl)TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMtrans-4-(Methoxycarbonyl)cyclohexanemethanolMethyl trans-4-(hydroxymethyl)cyclohexane-1-carboxylate4-Hydroxymethyl-cyclohexanecarboxylic acid methyl estertrans-4-(Hydroxymethyl)cyclohexanecarboxylic acid methyl ester(1R,4R)-4-(hydroxymethyl)cyclohexanecarboxylic acid methyl ester

Methyl 4-(hydroxymethyl)cyclohexane-1-carboxylateMETHYL TRANS-4-HYDROXYMETHYLCYCLOHEXANECARBOXYLATEMETHYL CIS-4-HYDROXYMETHYLCYCLOHEXANE-1-CARBOXYLATEcis-methyl 4-(hydroxymethyl)cyclohexanecarboxylateMethyl trans-4-(hydroxymethyl)cyclohexanecarboxylatemethyl (1r,4r)-4-(hydroxymethyl)cyclohexane-1-carboxylateCyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester, cis-Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester, trans-

データベース識別子

CAS: 110928-44-4、110928-45-5、13380-85-3
PubChem CID: 11073869
DTXSID: DTXSID00928275
UNII: M86577ODUE、R58V1A8V4H
EC Number: 173-265-4
Nikkaji: J3.685.499E

物性

構造計算による物性

XLogP: 0.9
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 148

物理化学的性質

沸点: 251 ℃ · 251℃
比重(密度): 1.058 · 1.058
闪点: 57 ℃ · 57℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
外見: Oil
酸解離定数(Pka): 15.05 · 15.05±0.10(Predicted)
色: Colourless
InChI: InChI=1S/C9H16O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3/t7-,8-
InChIKey: KOGYKIDJFOMAOF-ZKCHVHJHSA-N
SMILES: [C@@H]1(C(OC)=O)CC[C@@H](CO)CC1

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2918199890

化学と産業

応用分野

使用Methyl 4-(Hydroxymethyl)cyclohexanecarboxylate is a useful reagent in the synthesis and biopharmaceutical evaluation of imatinib analogs.

上流・下流製品情報

上流原料

Cyclohexanecarboxylic acid, 4-[(phenylmethoxy)methyl]-, methyl ester, trans-trans-1,4-シクロヘキサンジカルボン酸モノメチル trans-4-(ヒドロキシメチル)シクロヘキサンカルボン酸メタノールテトラヒドロフラントリメチルシリルジアゾメタン水和物 BORANE THF 炭酸水素ナトリウム

下流製品

TRANS-4-ホルミルシクロヘキサンカルボン酸メチル

サプライヤー54 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海爱孜康医药研究有限公司18721109360 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

化合物ノート

読み込み中…

Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester

基本情報