Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

HCID 853166CAS 52373-72-5

기본 정보

표준 SMILES: COC(=O)[C@H]1COC(C)(C)O1
InChIKey: DOWWCCDWPKGNGX-RXMQYKEDSA-N
분자식: C7H12O4
평균 분자량: 160.17 g/mol
단동위원소 질량: 160.07355886

이름 및 식별자

우선 이름: Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
IUPAC: methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
영어명: (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid methyl ester
분자식: C7H12O4
분자량: 160.17

이름 및 동의어

52373-72-5methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylateDTXSID003574051,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, methyl ester, (4R)-RefChem:812360DTXCID70308464610-831-6Methyl (R)-(+)-2,2-dimethyl-1,3-dioxolane-4-carboxylate(R)-methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate(R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic Acid Methyl EsterMFCD00066527(+)-2,3-O-Isopropylidene-D-glyceric Acid Methyl Ester

이름 더 보기

methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylateD674173-METHOXY-5,5,8,8-...(R)-METHYL-O-ISOPROPYLIDENE GLYCERATEMethyl α,β-isopropylidene-D-glycerateMETHYL 2,3-O-ISOPROPYLIDENE-D-GLYCERATEMETHYL ALPHA, BETA-ISOPROPYLIDENE-D-GLYCERATE(R)-(+)-2,2-Dimethyl-1,3-dioxolan-4-carboxylate

(+)-Methyl 2,3-O-Isopropylidene-D-glycerateD2562Methyl (R)-(+)-2,2-dimethyl-1,3-dioxolane-4-carboxylate, 98%(R)-(+)-2,2-dimethyl-1,3-dioxolan-4-carboxylic acid methyl esterMethyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylateAMY31947Methyl(R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylateSCHEMBL877770

데이터베이스 식별자

CAS: 52373-72-5
PubChem CID: 853166
DTXSID: DTXSID00357405
EC Number: 610-831-6
Nikkaji: J590.998H

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 164

물리화학적 성질

끓는 점: 70 · 70-75 °C/10 mmHg (lit.)
밀도: 1.106 g/mL · 1.106 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.426
인화점: 173 °F · 173 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 아세톤(약간), 클로로포름(약간), 메탄올(약간)에 용해됨
물리적 상태: 기름
색상: 노란색
BRN: 4292353 · 4292353
InChI: InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKey: DOWWCCDWPKGNGX-RXMQYKEDSA-N
SMILES: O1C[C@H](C(OC)=O)OC1(C)C

화학적 성질

Colorless to light yellowliqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29329990
safety_code: 23-24/25
F 고인화성물질: 10-23
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도(R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic Acid Methyl Ester is a dioxolane derivative used in the preparation of matrix metalloproteinases (MMP) inhibitors.