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

HCID 5237175CAS 114214-69-6

Grundinformationen

Standard-SMILES
CC(C)(C)OC(=O)N1CCC(CO)C1
InChIKey
HKIGXXRMJFUUKV-UHFFFAOYSA-N
Summenformel
C10H19NO3
Durchschnittliche Molmasse
201,26 g/mol
Monoisotopische Masse
201,13649347

Namen und Bezeichner

Bevorzugter Name
tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
Englischer Name
1-Boc-3-hydroxymethylpyrrolidine
Summenformel
C10H19NO3
Molmasse
201.26

Namen und Synonyme

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
Weitere Namen anzeigen
N-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
49,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
14

Physikochemische Eigenschaften

Siedepunkt
285 · 285-291℃
Dichte
1.089 · 1.089
Brechungsindex
1.468 to · 1.4680 to 1.4720
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand
clear liquid
pka
14.93 · 14.93±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen

Verwenden1-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.

Anbieter50 Anbieter

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]

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