(S)-Tert-butyl 1-aminopropan-2-ylcarbamate

Base Information

• Chemical Name: (S)-Tert-butyl 1-aminopropan-2-ylcarbamate
• CAS No.: 146552-71-8
• Molecular Formula: C8H18 N2 O2
• Molecular Weight: 174.243
• Hs Code.: 2924190090
• European Community (EC) Number: 858-272-9
• DSSTox Substance ID: DTXSID30567217
• Nikkaji Number: J2.532.277K
• Wikidata: Q72510873
• Mol file: 146552-71-8.mol

Synonyms:146552-71-8;(S)-TERT-BUTYL 1-AMINOPROPAN-2-YLCARBAMATE;(S)-tert-Butyl (1-aminopropan-2-yl)carbamate;TERT-BUTYL N-[(2S)-1-AMINOPROPAN-2-YL]CARBAMATE;(S)-2-N-Boc-propane-1,2-diamine;Carbamic acid, [(1S)-2-amino-1-methylethyl]-, 1,1-dimethylethyl ester (9CI);CARBAMIC ACID, N-[(1S)-2-AMINO-1-METHYLETHYL]-, 1,1-DIMETHYLETHYL ESTER;MFCD08726031;N-((S)-2-Amino-1-methylethyl)carbamic acid tert-butyl ester;CARBAMIC ACID, [(1S)-2-AMINO-1-METHYLETHYL]-, 1,1-DIMETHYLETHYL ESTER;tert-Butyl [(2S)-1-aminopropan-2-yl]carbamate;SCHEMBL84553;DTXSID30567217;JQXZBJAAOLPTKP-LURJTMIESA-N;(s)-(2-amino-1-methyl-ethyl)-carbamic acid tert-butyl ester;AKOS006283454;AKOS015840334;GS-0920;(S)-tert-butyl-1-aminopropan-2-ylcarbamate;CS-0028277;EN300-194309;(S)-TERT-BUTYL1-AMINOPROPAN-2-YLCARBAMATE;A808521;S-2-N-BOC-PROPANE-1,2-DIAMINE HCL,>97%;tert-butyl N-[(2S)-1-azanylpropan-2-yl]carbamate;tert-Butyl N-[(1S)-2-amino-1-methylethyl]carbamate;N-[(2S)-1-aminopropan-2-yl]carbamic acid tert-butyl ester

Chemical Property of (S)-Tert-butyl 1-aminopropan-2-ylcarbamate

Chemical Property:

• Boiling Point: 264℃
• PKA: 12.19±0.46(Predicted)
• Flash Point: 113℃
• PSA: 67.84000
• Density: 0.984
• LogP: 1.76300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 174.136827821
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

(S)-tert-Butyl1-Aminopropan-2-ylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN)NC(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H](CN)NC(=O)OC(C)(C)C

Technology Process of (S)-Tert-butyl 1-aminopropan-2-ylcarbamate

There total 11 articles about (S)-Tert-butyl 1-aminopropan-2-ylcarbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-azido-(S)-2-(N-tert-butoxycarbonyl)aminopropane (146610-69-7) → (S)-tert-butyl 1-aminopropan-2-ylcarbamate (146552-71-8)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2015.10.079

Reference yield: 36.0%

(S)-1,2-diaminopropane (15967-72-3) → ((S)-2-aminopropyl)carbamic acid tert-butyl ester (121103-15-9) + (S)-tert-butyl 1-aminopropan-2-ylcarbamate (146552-71-8)

Guidance literature:

(S)-1,2-diaminopropane; With triethylamine; In ethanol; Heating / reflux;

With hydrogenchloride; In water; pH=3;

With sodium hydroxide; In water;

Reference yield: 33.0%

tert-butyl (1S)-2-amino-1-methyl-2-oxoethylcarbamate (78981-25-6,81587-17-9,85642-13-3) → (S)-tert-butyl 1-aminopropan-2-ylcarbamate (146552-71-8)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 20 - 70 ℃; for 18h; Inert atmosphere;

upstream raw materials:

1-azido-(S)-2-(N-tert-butoxycarbonyl)aminopropane

(S)-2-t-butoxycarbonylaminopropan-1-ol

(2S)-2-[(tert-butoxycarbonyl)amino]propyl methanesulfonate

(S)-1,2-diaminopropane

Downstream raw materials:

(S)-propane-1,2-diamine dihydrochloride

t-butyl (S)-2-{[3-cyano-2-(3,5-dimethoxyphenylamino)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino}-1-methylethylcarbamate

(S,S)-{2-[2-tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionylamino]-1-methyl-ethyl}-carbamic acid tert-butyl ester

(S)-tert-butyl 1-(4-(4-bromo-2-(4-trifluoromethyl)phenyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate