1-Boc-3-히드록시메틸피롤리딘

tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate

HCID 5237175

기본 정보

CAS
114214-69-6
표준 SMILES
CC(C)(C)OC(=O)N1CCC(CO)C1
InChIKey
HKIGXXRMJFUUKV-UHFFFAOYSA-N
분자식
C10H19NO3
평균 분자량
201.26 g/mol
단동위원소 질량
201.13649347

이름 및 식별자

우선 이름
tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
현지명
1-Boc-3-히드록시메틸피롤리딘
영어명
1-Boc-3-hydroxymethylpyrrolidine
분자식
C10H19NO3
분자량
201.26

이름 및 동의어

114214-69-6Tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylateDTXSID60412261RefChem:383334DTXCID50363112805-026-31-Boc-3-hydroxymethylpyrrolidine1-Boc-3-(hydroxymethyl)pyrrolidine3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl esterMFCD021790401-PYRROLIDINECARBOXYLIC ACID, 3-(HYDROXYMETHYL)-, 1,1-DIMETHYLETHYL ESTERSCHEMBL621267
이름 더 보기
1-Boc-3-히드록시메틸피롤리딘N-Boc-DL-^b-prolinol, 97+%1-Boc-3-(hydroxyMethyl)py...N-Boc-DL-beta-prolinol, 97+%1-BOC-3-Pyrrolidinemethanol 97%N-BOC--3-hydrozyMethyl-pyrroidineN-Boc-3-(hydroxymethyl)pyrrolidine
N-BOC-DL-BETA-PROLINOL(S)-tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylatePB30747(3R)-1-Boc-3-(hydroxymethyl)pyrrolidine1-(tert-Butoxycarbonyl)-3-pyrrolidinemethanolt-butyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate1-Boc-3-pyrrolidinemethanol3-Hydroxymethyl-1-Boc-pyrrolidine

데이터베이스 식별자

CAS
114214-69-6
PubChem CID
5237175
DTXSID
DTXSID60412261
EC Number
805-026-3

물성

구조 계산 물성

XLogP
0.8
극성 표면적
49.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
14

물리화학적 성질

끓는 점
285 · 285-291℃
밀도
1.089 · 1.089
굴절률
1.468 to · 1.4680 to 1.4720
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
물리적 상태
투명한 액체
산도 계수 (pKa)
14.93 · 14.93±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (25%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (25%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).;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. 3 (25%);Skin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (25%);Aquatic Acute 1 (25%);Aquatic Chronic 1 (25%)

안전 데이터

wgk
3
ridadr
2811
HS 번호
2933998090
risk_code
25-50
hazard_code
Xi,N,T
safety_code
24/25-61-45

화학 및 산업

응용 분야

용도1-Boc-3-hydroxymethylpyrrolidine is an intermediate of SR 9009 (S684255). SR 9009 is a synthetic REV-ERB agonist that regulates circadian behavior and metabolism; has potential use in the treatment of sleep disorders and metabolic diseases.

공급사100 곳

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]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

관련 반응

55건

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