벤질(S)-(-)-2-(1-PYR롤리디닐카르보닐)-1-PYRROLIDINECARBOXYLATE

Benzyl (S)-(-)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinecarboxylate

HCID 688304CAS 50888-84-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1
InChIKey
VJDNUCLKCQKXMM-HNNXBMFYSA-N
분자식
C17H22N2O3
평균 분자량
302.37 g/mol
단동위원소 질량
302.16304256

이름 및 식별자

우선 이름
Benzyl (S)-(-)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinecarboxylate
IUPAC
benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
현지명
벤질(S)-(-)-2-(1-PYR롤리디닐카르보닐)-1-PYRROLIDINECARBOXYLATE
영어명
Benzyl (S)-(-)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinecarboxylate
분자식
C17H22N2O3
분자량
302.37

이름 및 동의어

Benzyl (S)-(-)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinecarboxylateRefChem:566547621-208-350888-84-1(S)-benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylatebenzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylateMFCD00799477CHEMBL1088406SCHEMBL6384850DTXSID60350871BDBM50316820AKOS015891421
이름 더 보기
벤질(S)-(-)-2-(1-PYR롤리디닐카르보닐)-1-PYRROLIDINECARBOXYLATEBenzyl (SS)-(?)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinecarboxylate1-Pyrrolidinecarboxylic acid, 2-(1-pyrrolidinylcarbonyl)-, phenylmethyl ester, (2S)-
AS-71480CS-0156227ST51038407D85676F689989phenylmethyl (2S)-2-(pyrrolidinylcarbonyl)pyrrolidinecarboxylateBenzyl (S)-(-)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinecarboxylate, 97%

데이터베이스 식별자

CAS
50888-84-1
PubChem CID
688304
DTXSID
DTXSID60350871
ChEMBL
CHEMBL1088406
EC Number
621-208-3
Nikkaji
J396.370E

물성

구조 계산 물성

XLogP
2.2
극성 표면적
49.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
22

물리화학적 성질

녹는점
132 · 132-135 °C (lit.)
저장 조건
Inert atmosphere,Room Temperature
물리적 상태
solid
InChI
1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m0/s1
InChIKey
VJDNUCLKCQKXMM-HNNXBMFYSA-N
SMILES
O=C(OCc1ccccc1)N2CCC[C@H]2C(=O)N3CCCC3

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 39 reports by companies from 2 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 · 1건

용도Benzyl (S)-()-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinecarboxylate can be used as an intermediate in the preparation of:An organocatalyst, which is used in the Michael addition of cyclic ketones.Hydrazone-basedchiral auxiliary, which is used to prepare chiral ketones.

상·하류 제품 정보

공급사24 곳

Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
天津希恩思生化科技有限公司400 638 7771 · [email protected]

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

연결된 노트

불러오는 중…