(1r,4r)-메틸4-(히드록시메틸)시클로헥산카르복실레이트

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

HCID 11073869

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 110928-44-4
표준 SMILES: COC(=O)C1CCC(CO)CC1
InChIKey: KOGYKIDJFOMAOF-UHFFFAOYSA-N
분자식: C9H16O3
평균 분자량: 172.22 g/mol
단동위원소 질량: 172.10994437

이름 및 식별자

우선 이름: Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester
IUPAC: methyl 4-(hydroxymethyl)cyclohexane-1-carboxylate
현지명: (1r,4r)-메틸4-(히드록시메틸)시클로헥산카르복실레이트
영어명: (1r,4r)-methyl 4-(hydroxymethyl)cyclohexanecarboxylate
분자식: C9H16O3
분자량: 172.22

이름 및 동의어

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

이름 더 보기

(1r,4r)-메틸4-(히드록시메틸)시클로헥산카르복실레이트trans-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-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 148

물리화학적 성질

끓는 점: 251 ℃ · 251℃
밀도: 1.058 · 1.058
인화점: 57 ℃ · 57℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨), 메탄올 (약간 용해됨,초음파처리)
물리적 상태: 기름
산도 계수 (pKa): 15.05 · 15.05±0.10(Predicted)
색상: 무색
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2918199890

화학 및 산업

응용 분야

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

상·하류 제품 정보

상류 원료

Cyclohexanecarboxylic acid, 4-[(phenylmethoxy)methyl]-, methyl ester, trans-트랜스-1,4-시클로헥산디카르복실산모노메틸에스테르 TRANS-4-(하이드록시메틸)사이클로헥산카르복실산 메틸알콜 테트라하이드로푸란 (TRIMETHYLSILYL)DIAZOMETHANE 물 BORANE THF 중탄산나트륨(중조)

하류 제품

(1r,4r)-메틸4-포르밀시클로헥산카르복실레이트

공급사54 곳

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]

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