Carbamic acid, [(1S)-2-amino-1-methylethyl]-, 1,1-dimethylethyl ester (9CI)

Base Information

• Chemical Name: Carbamic acid, [(1S)-2-amino-1-methylethyl]-, 1,1-dimethylethyl ester (9CI)
• CAS No.: 146552-71-8
• Molecular Formula: C8H18 N2 O2
• Molecular Weight: 174.243
• Hs Code.: 2924190090
• Mol file: 146552-71-8.mol

Synonyms:Carbamicacid, (2-amino-1-methylethyl)-, 1,1-dimethylethyl ester, (S)-; Carbamic acid, [(1S)-2-amino-1-methylethyl]-,1,1-dimethylethyl ester (9CI); N-((S)-2-Amino-1-methylethyl)carbamic acidtert-butyl ester

Chemical Property of Carbamic acid, [(1S)-2-amino-1-methylethyl]-, 1,1-dimethylethyl ester (9CI)

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

Purity/Quality:

98%,99%, ^*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:

Technology Process of Carbamic acid, [(1S)-2-amino-1-methylethyl]-, 1,1-dimethylethyl ester (9CI)

There total 11 articles about Carbamic acid, [(1S)-2-amino-1-methylethyl]-, 1,1-dimethylethyl ester (9CI) 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)-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

C₂₉H₃₉BrN₄O₃

Refernces

• 1、 -. "METALLO-BETA-LACTAMASE INHIBITORS". Page/Page column 356. . Retrieved 2017/04/04.
• 2、 Rudolph, Dale A.,Alcazar, Jesus,Ameriks, Michael K.,Anton, Ana Belen,Ao, Hong,Bonaventure, Pascal,Carruthers, Nicholas I.,Chrovian, Christa C.,De Angelis, Meri,Lord, Brian,Rech, Jason C.,Wang, Qi,Bhattacharya, Anindya,Andres, Jose Ignacio,Letavic, Michael A.. "Novel methyl substituted 1-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanones are P2X7 antagonists". . p. 3157 - 3163. Retrieved 2015/07/08.