4-Cyclopentene-1,3-diol, 1-acetate, (1R,3S)-rel-

HCID 9855498

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 60176-77-4
표준 SMILES: CC(=O)O[C@@H]1C=C[C@H](O)C1
InChIKey: IJDYOKVVRXZCFD-NKWVEPMBSA-N
분자식: C7H10O3
평균 분자량: 142.15 g/mol
단동위원소 질량: 142.06299418

개요

See also: rac-(1R,4S)-4-hydroxycyclopent-2-en-1-yl acetate (annotation moved to).

이름 및 식별자

우선 이름: 4-Cyclopentene-1,3-diol, 1-acetate, (1R,3S)-rel-
IUPAC: [(1S,4R)-4-hydroxycyclopent-2-en-1-yl] acetate
영어명: (1R,4S)-CIS-4-ACETOXY-2-CYCLOPENTEN-1-OL
분자식: C7H10O3
분자량: 142.15

이름 및 동의어

RefChem:5223504-Cyclopentene-1,3-diol, 1-acetate, (1R,3S)-rel-60176-77-4(1R,4S)-cis-4-Acetoxy-2-cyclopenten-1-ol[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] acetateMFCD00210003(1R,4S)-4-acetoxy-2-cyclopenten-1-ol(1S,4R)-4-HYDROXYCYCLOPENT-2-EN-1-YL ACETATE[cis-4-Hydroxycyclopent-2-en-1-yl] acetatecis-4-Hydroxycyclopent-2-en-1-yl acetate60410-18-6(1R,3S)-(+)-cis-4-Cyclopentene-1,3-diol 1-acetate

이름 더 보기

(1S,3R)-4-Cyclopentene-1,3-Diol 1-Acetate(1S,4R)-4-HYDROXYCYCLOPENT-2-ENYL ACETATE4-Cyclopentene-1,3-diol, 1-acetate4-Cyclopentene-1,3-diol,1-acetate, (1S,3R)-(1R,4S)-cis-4-Acetoxy-2-cyclopenten-1-ol >=98.0% (sum of enantiomers, GC)

(1S,4R)-cis-4-Hydroxy-2-cyclopentenyl acetateCIS-4-HYDROXYCYCLOPENT-2-ENYL ACETATESCHEMBL307800DTXSID10431801IJDYOKVVRXZCFD-NKWVEPMBSA-NAKOS006238828cis-3-acetoxy-5-hydroxycyclopent-1-enecis-4-Hydroxycyclopent-2-en-1-ylacetate

데이터베이스 식별자

CAS: 60176-77-4、60410-18-6
PubChem CID: 9855498
DTXSID: DTXSID10431801
Nikkaji: J774.684I

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 49 · 49-51 °C
끓는 점: 207.984 · 207.984±40.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.171 · 1.171±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: 2 °C · Store at +2°C to +8°C.
산도 계수 (pKa): 14.109 · 14.109±0.40(predicted)
InChI: 1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7+/m0/s1
InChIKey: IJDYOKVVRXZCFD-NKWVEPMBSA-N
SMILES: CC(=O)O[C@H]1C[C@@H](O)C=C1

안전 및 규제

안전 데이터

wgk: 3
safety_code: 22-24/25
F 고인화성물질: 10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도(1R,4S)-cis-4-Acetoxy-2-cyclopenten-1-ol can be used as a reactant in the total synthesis of Bartlett′s brefeldin intermediate, spinosyn A analogs, (+)-7-deaza-5′-noraristeromycin, (±) strychnine and the Wieland-Gumlich aldehyde.