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

Base Information

• Chemical Name: Carbamic acid, [(2S)-2-aminopropyl]-, 1,1-dimethylethyl ester (9CI)
• CAS No.: 121103-15-9
• Molecular Formula: C8H18 N2 O2
• Molecular Weight: 174.243
• Hs Code.: 2924190090
• Mol file: 121103-15-9.mol

Synonyms:Carbamicacid, (2-aminopropyl)-, 1,1-dimethylethyl ester, (S)-; Carbamic acid,[(2S)-2-aminopropyl]-, 1,1-dimethylethyl ester (9CI);((S)-2-Aminopropyl)carbamic acid tert-butyl ester;N-((S)-2-Aminopropyl)carbamic acid tert-butyl ester; tert-Butyl((2S)-2-aminopropyl)carbamate

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

Chemical Property:

• Boiling Point: 263.7±23.0 °C(Predicted)
• PKA: 12.51±0.46(Predicted)
• PSA: 64.35000
• Density: 0.984
• LogP: 1.94950
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S)-1-N-Boc-Propane-1,2-diaminehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

There total 8 articles about Carbamic acid, [(2S)-2-aminopropyl]-, 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%

C16H24N2O4 (400652-51-9) → ((S)-2-aminopropyl)carbamic acid tert-butyl ester (121103-15-9)

Guidance literature:

With 5% Pd(II)/C(eggshell); hydrogen; In methanol; for 18h;

DOI:10.1021/cc1000105

Reference yield: 42.0%

di-tert-butyl dicarbonate (24424-99-5) + (S)-propane-1,2-diamine dihydrochloride (19777-66-3,19777-67-4,20267-34-9,41889-20-7,62036-75-3) → ((S)-2-aminopropyl)carbamic acid tert-butyl ester (121103-15-9)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃; for 20h; Inert atmosphere; Cooling with ice;

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;

upstream raw materials:

tert-butyldicarbonate

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

(S)-1,2-diaminopropane

di-tert-butyl dicarbonate

Downstream raw materials:

((S)-2-(2-chloroacetyl)-(4-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-benzylamino)-propyl)-carbamic acid tert-butyl ester

Refernces

• 1、 Lord, Brian,Ameriks, Michael K.,Wang, Qi,Fourgeaud, Lawrence,Vliegen, Maarten,Verluyten, Willy,Haspeslagh, Pieter,Carruthers, Nicholas I.,Lovenberg, Timothy W.,Bonaventure, Pascal,Letavic, Michael A.,Bhattacharya, Anindya. "A novel radioligand for the ATP-gated ion channel P2X7: [3H] JNJ-54232334". . p. 551 - 559. Retrieved 2015.
• 2、 Kuwano, Ryoichi,Kameyama, Nao,Ikeda, Ryuhei. "Catalytic asymmetric hydrogenation of N-Boc-imidazoles and oxazoles". . p. 7312 - 7315. Retrieved 2011/06/24.