(R)-(-)-alpha-methoxyphenylacetic acid

HCID 2724294

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3966-32-3
표준 SMILES: CO[C@@H](C(=O)O)c1ccccc1
InChIKey: DIWVBIXQCNRCFE-MRVPVSSYSA-N
분자식: C9H10O3
평균 분자량: 166.17 g/mol
단동위원소 질량: 166.06299418

이름 및 식별자

우선 이름: (R)-(-)-alpha-methoxyphenylacetic acid
IUPAC: (2R)-2-methoxy-2-phenylacetic acid
영어명: (R)-(-)-alpha-Methoxyphenylacetic acid
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

(R)-(-)-alpha-Methoxyphenylacetic acid(-)-Methoxyphenylacetic acidEINECS 223-580-9RefChem:4070553966-32-3(R)-2-Methoxy-2-phenylacetic acidMFCD00004250(2R)-2-methoxy-2-phenylacetic acid(R)-METHOXYPHENYLACETIC ACIDSCHEMBL104518(R)-methoxy-phenyl-acetic acid(r)-2-Methoxy-2-phenyl-acetic acid

이름 더 보기

(R)-(-)-α-Methoxyphenylacetic Acid(R)-(-)-αBenzeneacetic acid, .aO-METHYL-D-MANDELIC ACIDO-Methyl-(R)-mandelicacidAcetic acid, methoxyphenyl(1)-(Methoxy)phenylacetic acid(methyloxy)(phenyl)acetic acid

(-)-2-METHOXY-2-PHENYLACETIC ACIDM0830Benzeneacetic acid, alpha-methoxy-, (alphaR)-EN300-128484(r)-(-)-a-methoxyphenylacetic acidWA8N5X9TFKBenzeneacetic acid, .alpha.-methoxy-, (R)-Methoxyphenylacetic acid, (-)-

데이터베이스 식별자

CAS: 3966-32-3
PubChem CID: 2724294
DTXSID: DTXSID701369634
UNII: WA8N5X9TFK
EC Number: 223-580-9
Nikkaji: J52.655J

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 150

물리화학적 성질

녹는점: 66 · 66-68 °C(lit.)
끓는 점: 164 · 164-166°C 18mm
밀도: 1.1708 · 1.1708 (rough estimate)
굴절률: -147 ° · -147 ° (C=0.5, EtOH)
인화점: 164 · 164-166°C/18mm
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 에탄올, 메탄올에 용해됨
산도 계수 (pKa): 3.1 · 3.10±0.10(Predicted)
물리적 상태: 바늘 모양 또는 분말 모양의 결정체
색상: 하얀색
BRN: 3589257 · 3589257
InChI: 1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)/t8-/m1/s1
InChIKey: DIWVBIXQCNRCFE-MRVPVSSYSA-N
SMILES: CO[C@@H](C(O)=O)c1ccccc1
NIST: (R)-(-)-«alpha»-methoxyphenylacetic acid(3966-32-3)

화학적 성질

white fine crystalline powder or needles

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 45 reports by companies from 5 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
HS 번호: 29189900
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

용도(R)-(-)-α-Methoxyphenylacetic Acid is a useful synthetic intermediate. It is used as a reactant in the synthesis of dopamine receptor agonists. It can also be used to prepare hydroxytriamides as potent γ-secretase inhibitors.

일반 설명(R)-()-α-Methoxyphenylacetic acid is a chiral derivatizating agent, which is employed for derivatizing enantiomers into diastereoisomers.