알파,베타-이소프로필리덴-L-글리세르산메틸에스테르

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

HCID 853165CAS 60456-21-5
부분 구조 검색유사 구조 찾기

기본 정보

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

이름 및 식별자

우선 이름
Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
IUPAC
methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
현지명
알파,베타-이소프로필리덴-L-글리세르산메틸에스테르
영어명
alpha,beta-Isopropylidene-L-glyceric acid methyl ester
분자식
C7H12O4
분자량
160.17

이름 및 동의어

methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylateMethyl (S)-(-)-2,2-dimethyl-1,3-dioxolane-4-carboxylateRefChem:812367611-975-260456-21-5(S)-methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylateMFCD00066526alpha,beta-Isopropylidene-L-glyceric acid methyl esterMethyl 2,3-O-isopropylidene-L-glycerateMethyl (S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate(-)-Methyl (S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate(S)-Methyl 2,2-dimethyl-[1,3]dioxolane-4-carboxylate
이름 더 보기
알파,베타-이소프로필리덴-L-글리세르산메틸에스테르L-(S)-Glyceraldehyde acetonide3-PHENYLPYRAZIN-2-...METHYL ALPHA, BETA-ISOPROPYLIDENE-L-GLYCERATEα,β-isopropylidene-l-glyceric acid methyl ester2-O,3-O-Isopropylidene-L-glyceric acid methyl ester(-)-Methyl S-2,2-dimethyl-1,3-dioxolane-4-carboxylateMETHYL (S)-(-)2,2-DIMETHYL-1,3-DIOXOLANE-4-CARBOXYLATE
Methyl |A,|A-isopropylidene-L-glycerate1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, methyl ester, (4S)-|A,|A-Isopropylidene-L-glyceric acid methyl esterSCHEMBL1487144DOWWCCDWPKGNGX-YFKPBYRVSA-DTXSID40357404AKOS016842449CS-W008410

데이터베이스 식별자

CAS
60456-21-5
PubChem CID
853165
DTXSID
DTXSID40357404
EC Number
611-975-2
Nikkaji
J236.251A

물성

구조 계산 물성

XLogP
0.4
극성 표면적
44.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
11

물리화학적 성질

끓는 점
84 · 84-86 °C/15 mmHg (lit.)
밀도
1.106 g/mL · 1.106 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.425(lit.)
인화점
78 °C · 78°C
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
물리적 상태
액체

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk
3
HS 번호
2932990090
safety_code
23-24/25
F 고인화성물질
10-23
스토리지 클래스
10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도()-Methyl (S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate can be used:As a chiral building block to make the key tetrahydrofuran subunit of ()-gymnodimine, a marine algal toxin.To prepare an enedione by reacting with dimethyl methylphosphonate, BuLi, and phenylglyoxal, which in turn is used to synthesize cyclopentenone derivatives.As a starting material for the preparation of (S)-4,5-dihydroxy-2,3-pentanedione (DPD), a precursor for autoinducer (AI)-2 in bacteria.

상·하류 제품 정보

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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