tert-Butyl (4-aminobutan-2-yl)carbamate

Base Information

• Chemical Name: tert-Butyl (4-aminobutan-2-yl)carbamate
• CAS No.: 170367-69-8
• Molecular Formula: C9H20N2O2
• Molecular Weight: 188.27
• DSSTox Substance ID: DTXSID10937757
• Nikkaji Number: J2.425.400C
• Mol file: 170367-69-8.mol

Synonyms:177489-90-6;tert-Butyl (4-aminobutan-2-yl)carbamate;(3-AMINO-1-METHYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER;3-BOC-AMINO-BUTYLAMINE;Tert-butyl N-(4-aminobutan-2-yl)carbamate;MFCD06804538;SCHEMBL1654201;DTXSID10937757;(R)-N3-Boc-1,3-butanediamine;CHA48990;MFCD06804531;AKOS011241508;AB30327;tert-Butyl(4-aminobutan-2-yl)carbamate;SY262822;CS-0342880;FT-0653941;FT-0657053;FT-0739475;tert-butyl N-(4-azanylbutan-2-yl)carbamate;EN300-59164;N'-(tert-Butyloxycarbonyl)-1,3-butanediamine;F79510;2-Methyl-2-propanyl (4-amino-2-butanyl)carbamate;A812267;N-(4-aminobutan-2-yl)carbamic acid tert-butyl ester;tert-Butyl hydrogen (4-aminobutan-2-yl)carbonimidate;(3-Amino-1-methyl-propyl)carbamic acid tert-butyl ester

Chemical Property of tert-Butyl (4-aminobutan-2-yl)carbamate

Chemical Property:

• Boiling Point: 282.6±23.0 °C(Predicted)
• PKA: 12.44±0.46(Predicted)
• PSA: 64.35000
• Density: 0.972±0.06 g/cm3(Predicted)
• LogP: 2.33960
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 188.152477885
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

(R)-3-Boc-amino-butylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCN)NC(=O)OC(C)(C)C

Technology Process of tert-Butyl (4-aminobutan-2-yl)carbamate

There total 7 articles about tert-Butyl (4-aminobutan-2-yl)carbamate 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%

(2-cyano-1(R)-methylethyl)carbamic acid, 1,1-dimethylethyl ester (170367-68-7,194156-55-3) → (3-amino-1(R)-methylpropyl)carbamic acid, 1,1-dimethylethyl ester (170367-69-8,177489-90-6)

Guidance literature:

With ammonia; hydrogen; Raney-Ni; In ethanol; water; under 2844.39 Torr;

Reference yield: 99.0%

→ (3-amino-1(R)-methylpropyl)carbamic acid, 1,1-dimethylethyl ester (170367-69-8,177489-90-6) + 3-[(4-aminobutyl)(phenylmethyl)amino-1(R)-methylpropyl]carbamic acid, 1,1-dimethylethyl ester (170367-72-3)

Guidance literature:

Reference yield: 98.0%

→ 1,1-Dimethylethyl [3-(phenylmethylamino)-1(R)-methyl-propyl]carbamate + (3-amino-1(R)-methylpropyl)carbamic acid, 1,1-dimethylethyl ester (170367-69-8,177489-90-6)

Guidance literature:

upstream raw materials:

(2-cyano-1(R)-methylethyl)carbamic acid, 1,1-dimethylethyl ester

di-tert-butyl dicarbonate

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

(R)-2-tertbutoxycarbonylamino-1-propanol

Downstream raw materials:

[4-[[3-[[(1,1-dimethylethoxy)carbonyl]amino]butyl](phenylmethyl)amino]butyl]carbamic acid, 11-[[(1,1-dimethylethoxy)carbonyl]amino]-15,15-dimethyl-2,13-dioxo-14-oxa-3,4,12-triaza-11-hexadecen-1-yl ester (R)

[21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (R)

2,2,6-trimethyl-4,15-dioxo-9-(phenylmethyl)-3,16-dioxa-5,9,14-triazaoxadecan-18-oic acid (R)

[3-[[4-(2,4-dioxo-3-oxazolidinyl)butyl](phynylmethyl)amino]-1-methylpropyl]carbamic acid, 1,1-dimethylethyl ester (R)

Refernces

• 1、 Grigorenko, Nikolay A.,Khomutov, Alex R.,Kein?nen, Tuomo A.,J?rvinen, Aki,Alhonen, Leena,J?nne, Juhani,Veps?l?inen, Jouko. "Synthesis of novel optical isomers of α-methylpolyamines". . p. 2257 - 2262. Retrieved 2007/10/03.
• 2、 J?rvinen, Aki J.,Cerrada-Gimenez, Marc,Grigorenko, Nikolay A.,Khomutov, Alex R.,Veps?l?inen, Jouko J.,Sinervirta, Riitta M.,Kein?nen, Tuomo A.,Alhonen, Leena I.,J?nne, Juhani E.. "α-methyl polyamines: Efficient synthesis and tolerance studies in vivo and in vitro. First evidence for dormant stereospecificity of polyamine oxidase". . p. 399 - 406. Retrieved 2007/10/03.