2,2-Dimethylcyclopentanone

HCID 138286CAS 4541-32-6

기본 정보

표준 SMILES: CC1(C)CCCC1=O
InChIKey: FTGZMZBYOHMEPS-UHFFFAOYSA-N
분자식: C7H12O
평균 분자량: 112.17 g/mol
단동위원소 질량: 112.088815

이름 및 식별자

우선 이름: 2,2-Dimethylcyclopentanone
IUPAC: 2,2-dimethylcyclopentan-1-one
영어명: 2,2-DIMETHYLCYCLOPENTANONE
분자식: C7H12O
분자량: 112.17

이름 및 동의어

2,2-Dimethylcyclopentanone4541-32-6Cyclopentanone, 2,2-dimethyl-DTXSID70196505RefChem:81085DTXCID40118996628-889-6FTGZMZBYOHMEPS-UHFFFAOYSA-N2,2-dimethylcyclopentan-1-oneMFCD00049164Cyclopentanone, dimethyl-2,2-DIMETHYLCYCLOPENTANONE (D6-METHYL)

이름 더 보기

Compound Fr14538α,α-DiMethylcyclopentanone2,2-DIMETHYL-1-CYCLOPENTANONE2,2-DiMethylcyclopentanone 96%2,2-Dimethylcyclopentanone,97%2,2-Dimethylcyclopentane-1-one2,2-Dimethylcyclopentanone ,98%

2,2 dimethylcyclopentanone2,2-dimethyl-cyclopentanone2,2-dimethylcyclo pentanone2,2-dimethylcyclo-pentanoneSCHEMBL104614SCHEMBL993732F9995-0012orb3170250

데이터베이스 식별자

CAS: 4541-32-6
PubChem CID: 138286
DTXSID: DTXSID70196505
EC Number: 628-889-6
Nikkaji: J99.891E

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 114

물리화학적 성질

끓는 점: 143 · 143-145 °C (lit.)
밀도: 0.894 g/mL · 0.894 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.433(lit.)
인화점: 91 °F · 91 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C7H12O/c1-7(2)5-3-4-6(7)8/h3-5H2,1-2H3
InChIKey: FTGZMZBYOHMEPS-UHFFFAOYSA-N
SMILES: C1(=O)CCCC1(C)C

화학적 성질

Clear colorless to yellow liquid

안전 및 규제

안전 데이터

wgk: 3
ridadr: UN 1224 3/PG 3
HS 번호: 29142900
risk_code: 10
safety_code: 16-29-33
포장분류: III
위험 등급: 3.2
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도2,2-Dimethylcyclopentanone enolate may be used as starting reagent in the enantioselective synthesis of chiral phosphines belonging to the P-aryl-2-phosphabicyclo[3.3.0]octane family (PBO). It may be used in the synthesis of:2,6,6-trimethyl-2-azaspiro[4.4]nonane-1,3-dione, a spirosuccinimide moiety of asperparaline Anovel spiropentanopyrrolizidine oxime alkaloids, namely 2′,3′,5′,6′,7′,7a′-hexahydro-2,2-dimethylspirocyclopentane-1δ,δ-dimethyl-δ-valerolactone, via Baeyer-Villiger oxidation

일반 설명2,2-Dimethylcyclopentanone is a ketone. Synthesis of various C-2 substituted vitamin D derivatives with a 2,2-dimethylcyclopentanone unit in side chains has been reported. Regioselective synthesis of 2,2-dimethylcyclopentanone, via its enolate precursor regioselectively obtained using the 2-pyrrolidone magnesium salt, has been reported.