N-Boc-cis-4-hydroxy-L-proline methyl ester

HCID 10752873
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기본 정보

CAS
102195-79-9
표준 SMILES
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C
InChIKey
MZMNEDXVUJLQAF-YUMQZZPRSA-N
분자식
C11H19NO5
평균 분자량
245.27 g/mol
단동위원소 질량
245.12632271

이름 및 식별자

우선 이름
N-Boc-cis-4-hydroxy-L-proline methyl ester
IUPAC
1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
영어명
N-Boc-cis-4-Hydroxy-L-proline methyl ester
분자식
C11H19NO5
분자량
245.27

이름 및 동의어

102195-79-9N-Boc-cis-4-hydroxy-L-proline methyl esterDTXSID50444435RefChem:363495DTXCID50395256627-146-3Boc-cis-Hyp-Ome(2S,4S)-1-tert-butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate1-tert-Butyl 2-Methyl (2S,4S)-4-Hydroxypyrrolidine-1,2-dicarboxylateMFCD00237541(2S,4S)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester1,2-PYRROLIDINEDICARBOXYLIC ACID, 4-HYDROXY-, 1-(1,1-DIMETHYLETHYL) 2-METHYL ESTER, (2S,4S)-
이름 더 보기
N-Boc-cis-Hyp-Omecis-Boc-Hyp-OMeBoc-L-cis-Hyp-OMeBoc-cis-hyp-ome ,97%N-Boc-cis-4-Hydroxy-LBOC-CIS-HYDROXYPROLINE-OME
1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate227935-38-8cis-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylateBoc-trans-4-Hydroxy-L-proline methyl esterBOC-CIS-L-HYP-OMEO1-TERT-BUTYL O2-METHYL (2S,4S)-4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATESCHEMBL85695orb2279158

데이터베이스 식별자

CAS
102195-79-9
PubChem CID
10752873
DTXSID
DTXSID50444435
ChEMBL
CHEMBL5305064
EC Number
627-146-3
Nikkaji
J1.509.014F

물성

구조 계산 물성

XLogP
0.6
극성 표면적
76.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
17

물리화학적 성질

녹는점
82 · 82-86 °C (lit.)
끓는 점
335.2 · 335.2±42.0 °C(Predicted)
밀도
1.216 · 1.216±0.06 g/cm3(Predicted)
저장 조건
2 · Sealed in dry,2-8°C
산도 계수 (pKa)
14.27 · 14.27±0.40(Predicted)
물리적 상태
powder to crystal

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (89.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (89.1%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (89.1%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk
2
HS 번호
29339900
risk_code
22-36/37/38-43
hazard_code
Xn
safety_code
26-36
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

화학 및 산업

응용 분야

용도2S,4S)-4-Hydroxypyrrolidine-1,2-dicarboxylic Acid 1-tert-Butyl Ester 2-Methyl Ester oline scaffold.

상·하류 제품 정보

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

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