D-Phenylglycine methyl ester hydrochloride

HCID 12247453

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 19883-41-1
표준 SMILES: COC(=O)[C@H](N)c1ccccc1.Cl
InChIKey: DTHMTBUWTGVEFG-DDWIOCJRSA-N
분자식: C9H12ClNO2
평균 분자량: 201.65 g/mol
단동위원소 질량: 201.0556563

이름 및 식별자

우선 이름: D-Phenylglycine methyl ester hydrochloride
IUPAC: methyl (2R)-2-amino-2-phenylacetate;hydrochloride
영어명: H-D-Phg-OMe HCl
분자식: C9H12ClNO2
분자량: 201.65

이름 및 동의어

19883-41-1d-phenylglycine methyl ester hydrochlorideRefChem:1082922H-D-Phg-OMe.HClH-D-PHG-OME HCL(R)-(-)-2-Phenylglycine methyl ester hydrochloride(R)-2-Phenylglycine Methyl Ester HydrochlorideMFCD00137487METHYL (2R)-2-AMINO-2-PHENYLACETATE HYDROCHLORIDEMethyl (R)-2-amino-2-phenylacetate hydrochlorideBenzeneacetic acid, a-amino-, methyl ester, hydrochloride, (aR)-methyl (2R)-2-amino-2-phenylacetate;hydrochloride

이름 더 보기

2-phenylglycine methyl ester hydrochlorideD-Phenylglycine Methyl Ester HClD-(-)-ALPHA-PHENYLGLYCINE METHYL ESTER HYDROCHLORIDET0400-4069D-Peg-Oe.H Cl

(R)-Methyl 2-amino-2-phenylacetate hydrochlorideMethyl (2R)-amino(phenyl)acetate hydrochlorideD-(-)-2-Phenylglycine methyl ester hydrochloride(R)-2-PHENYLGLYCINE METHYL ESTER HCl(R)-methyl 2-amino-2-phenylacetate, hydrochloride saltH-D-Phg-OMe hydH-D-Phg-OMe hydrochlorideSCHEMBL1143309

데이터베이스 식별자

CAS: 19883-41-1
PubChem CID: 12247453
DTXSID: DTXSID101377867

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 189 · 189-191 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 3915654 · 3915654
주요 응용: 펩타이드 합성
InChI: InChI=1/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/s3
InChIKey: DTHMTBUWTGVEFG-DDWIOCJRSA-N
SMILES: C(OC)(=O)[C@H](C1=CC=CC=C1)N.[H]Cl |&1:4,r|

화학적 성질

White solid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29224999
risk_code: 36
hazard_code: Xi
safety_code: 26-36/37
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도(R)-(-)-2-Phenylglycine Methyl Ester Hydrochloride is an intermediate in the synthesis of Cephradine, a cephalosporin antibiotic. It functions as an acyl donor in the enzymatic synthetic process for cephradine synthesis.