CAS 35150-07-3 tert-butyl (S)-2-carbamoylpyrrolidine-1-carboxylate (HCID 7019053)

Substructure search Find similar structures

Basic information

CAS: 35150-07-3
Standard SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C(N)=O
InChIKey: PITJAAIPVBVRAO-ZETCQYMHSA-N
Molecular formula: C10H18N2O3
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.13174244

Names & identifiers

Preferred name: tert-butyl (S)-2-carbamoylpyrrolidine-1-carboxylate
IUPAC: tert-butyl (2S)-2-carbamoylpyrrolidine-1-carboxylate
English name: D-1-N-Boc-prolinamide
Molecular formula: C10H18N2O3
Molecular weight: 214.26

Names & synonyms

tert-Butyl (S)-2-carbamoylpyrrolidine-1-carboxylateRefChem:8919571,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate626-262-135150-07-3boc-pro-nh21-Boc-L-prolinamidetert-butyl (2S)-2-carbamoylpyrrolidine-1-carboxylateDL-1-Boc-prolinamide(R)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylateN-Boc-L-prolinamide(s)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate

Show more names

1-Boc-D-proLBOC-L-PRO-NH2BOC-PYRD(2)-NH2Boc-ProliniamideBOC-L-PROLINAMIDEBoc-D-ProlinamideN-Boc-ProlinamideBOC-D-PROLINEAMIDE

MFCD00190827L-1-N-Boc-prolinamideL-1-N-Boc-prolidinamideSCHEMBL240483CS-D1508tert-Butyl (S)-2-Carbamoyl-1-pyrrolidinecarboxylateN-(tert-Butoxycarbonyl)proline amide(l)-1-n-boc-prolidinamide

Database identifiers

CAS: 35150-07-3

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 270

Physicochemical properties

Melting point: 104 · 104-108 °C
Boiling point: 370.1 · 370.1±31.0 °C(Predicted)
Density: 1.155 · 1.155±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 15.97 · 15.97±0.20(Predicted)
form: powder to crystal
color: White to Almost white
optical activity: Consistent with structure
Major Application: peptide synthesis
InChI: 1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)/t7-/m0/s1
InChIKey: PITJAAIPVBVRAO-ZETCQYMHSA-N
SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C(N)=O
CAS DataBase Reference: 35150 · 35150-07-3(CAS DataBase Reference)
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.

Warning

H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 43 reports by companies.；There are 2 notifications provided by 41 of 43 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.

Hazard information

Regulatory InformationStatus: Active Update: 28-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21339

Hazard Classes and CategoriesAcute Tox. 4 (93%)

Regulatory information

Regulatory InformationStatus: Active Update: 28-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21339

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 2
hs_code: 2933.99.9701
risk_code: 22
Signal word: Warning
Symbol(GHS)

Chemistry & industry

Applications

Uses1-Boc-L-prolinamide is a reagent that is used in the preparation of thiazole amide peptidomimetics as erratum inhibitor apoptosis protein antagonist.