(R)-(-)-2,2-디메틸-5-옥소-1,3-디옥솔란-4-아세트산

2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid

HCID 10844960

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 113278-68-5
표준 SMILES: CC1(C)OC(=O)[C@@H](CC(=O)O)O1
InChIKey: IDQOCLIWDMZKBZ-SCSAIBSYSA-N
분자식: C7H10O5
평균 분자량: 174.15 g/mol
단동위원소 질량: 174.05282342

이름 및 식별자

우선 이름: 2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
IUPAC: 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
현지명: (R)-(-)-2,2-디메틸-5-옥소-1,3-디옥솔란-4-아세트산
영어명: (R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid
분자식: C7H10O5
분자량: 174.15

이름 및 동의어

2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acidRefChem:449326627-843-2113278-68-5[(4R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid(R)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid(R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acidMFCD00211272(r)-2,2-dimethyl-5-oxo-1,3-dioxolane-4-acetic acidAKOS015893968AT10699

이름 더 보기

(R)-(-)-2,2-디메틸-5-옥소-1,3-디옥솔란-4-아세트산(R)-2,2-DiMethyl-5-oxo-(R)-(-)-2,2-dimethyl-5-oxo-1,3-dioxolane-4-acetic[(R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic Acid(R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxalone-4-acetic acid1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-5-oxo-, (4R)-

BS-51226EN300-7466912-((R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid(R)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic Acid; 2-((R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic Acid; [(R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic Acid;SCHEMBL473047DTXSID70445646SBB053468SY293608

데이터베이스 식별자

CAS: 113278-68-5
PubChem CID: 10844960
DTXSID: DTXSID70445646
EC Number: 627-843-2

물성

구조 계산 물성

XLogP: 0
극성 표면적: 72.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 220

물리화학적 성질

녹는점: 95 · 95-98°C
끓는 점: 341.4 · 341.4±17.0 °C(Predicted)
밀도: 1.262 · 1.262±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 3.96 · 3.96±0.10(Predicted)
색상: 회백색
InChI: 1S/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKey: IDQOCLIWDMZKBZ-SCSAIBSYSA-N
SMILES: CC1(C)O[C@H](CC(O)=O)C(=O)O1

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명(R)-()-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid can be used as an intermediate/starting material in the synthesis of (R)-isoserine, a glucagon receptor antagonist, blepharismone, and pheromone of Blepharisma japonicum.