CAS 80841-78-7 4-(Chloromethyl)-5-methyl-1,3-dioxol-2-one (HCID 9855518)

이름 및 식별자

우선 이름: 4-(Chloromethyl)-5-methyl-1,3-dioxol-2-one
IUPAC: 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one
영어명: 4-Cloromethyl-5-methyl-1,3-dioxol-2-one
분자식: C5H5ClO3
분자량: 148.54

이름 및 동의어

4-(chloromethyl)-5-methyl-1,3-dioxol-2-one4-Chloromethyl-5-methyl-1,3-dioxol-2-oneEC 617-178-6RefChem:515638617-178-680841-78-74-Cloromethyl-5-methyl-1,3-dioxol-2-oneMFCD07787494C5H5ClO31,3-Dioxol-2-one, 4-(chloromethyl)-5-methyl-4-(chloromethyl)-5-methyl-2H-1,3-dioxol-2-one4-chloromethyl-5-methyl-1,3-dioxolen-2-one

이름 더 보기

DMDO-CLOlmesartan impurity4-ChloroMethyl-5-Methyl-14-chloromethyl-5-methyl-1,3-dioxolane-2-oneAZATMint-CDMDO-ChlorideOlmesartan Impurity 3Olmesartan Impurity 57Olmesartan Medoxomil IMP

4-Choromethyl-5-methyl-2-oxo-1,3-dioxoleMedoxomil chloride1,3-Dioxol-2-one, 4-(chloromethyl)-5-methyl-; 4-(Chloromethyl)-5-methyl-1,3-dioxol-2-one; (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl chloride; 4-Chloromethyl-5-methyl-2-oxo-1,3-dioxole; 4-(Chloromethyl)-5-methyl-1,3-dioxol-2-oneOlmesartan Impurity 514-chloromethyl-5-methyl-2-oxo-1,3-dioxole3AWR4DU93NSCHEMBL94170DTXSID50431805

데이터베이스 식별자

CAS: 80841-78-7
PubChem CID: 9855518
DTXSID: DTXSID50431805
UNII: 3AWR4DU93N
EC Number: 617-178-6
Nikkaji: J243.017G

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 173

물리화학적 성질

끓는 점: 90 ℃/2mm · >90℃/2mm
밀도: 1.362 · 1.362±0.06 g/cm3(Predicted)
굴절률: 1.476 · 1.4760-1.4820
인화점: 129 °C · 129 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 밝은 노란색에서 매우 어두운 갈색까지
Specific Gravity: 1.36 · 1.36
BRN: 4798926 · 4798926
InChI: InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
InChIKey: QCLFSYYUWPUWQR-UHFFFAOYSA-N
SMILES: CC1=C(OC(=O)O1)CCl

화학적 성질

Colorless to Light yellow to Light orange clear liquid or Pale Yellow Oil.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.

Warning

H302 (84.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 06-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12031

Hazard Classes and CategoriesAcute Tox. 4 (84.9%)

안전 데이터

wgk: 3
HS 번호: 29329990
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

개요4-Chloromethyl-5-methyl-1,3-dioxol-2-one is a useful branch side chain for synthetic penicillin esters such as Lenampicillin, Mecillinam, etc. It can improve the stability and absorption of drugs, increase biological activity, and reduce side effects. It is also used to prepare amine drugs, such as Norfloxacin prodrug. In the prior art, the primary method for synthesizing 4-(Hydroxymethyl)-5-methyl-1,3-dioxol-2-one is a chlorination reaction of chlorine gas or N-chlorosuccinimide.

용도4-Chloromethyl-5-methyl-1,3-dioxol-2-one is an important reagent in the preparation of angiotensin II receptor antagonist such as Olmesratan Medoxomil (O550000). It is also used in the preparation of prodrugs of ampicillin.