(3-BENZYLAMINO-1-METHYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER

Base Information

• Chemical Name: (3-BENZYLAMINO-1-METHYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER
• CAS No.: 176982-58-4
• Molecular Formula: C16H26 N2 O2
• Molecular Weight: 278.395
• Hs Code.: 2924299090
• Mol file: 176982-58-4.mol

Synonyms:Carbamicacid, [1-methyl-3-[(phenylmethyl)amino]propyl]-, 1,1-dimethylethyl ester, (S)-

Chemical Property of (3-BENZYLAMINO-1-METHYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.505
• Boiling Point: 400.9°Cat760mmHg
• Flash Point: 196.2°C
• PSA: 50.36000
• Density: 1.009g/cm³
• LogP: 3.86130

Purity/Quality:

98% ^*data from raw suppliers

TERT-BUTYL-(3-BENZYLAMINO-1-METHYL-PROPYL)CARBAMATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (3-BENZYLAMINO-1-METHYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER

There total 6 articles about (3-BENZYLAMINO-1-METHYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER 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: 84.0%

[1(S)-methyl-3-[(phenylmethylidene)amino]propyl]carbamic acid, 1,1-dimethylethyl ester → [1(S)-methyl-3-[(phenylmethyl)amino]propyl]carbamic acid, 1,1-dimethylethyl ester (176982-58-4)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 10 ℃; for 3h;

DOI:10.1021/jm991043x

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → [1(S)-methyl-3-[(phenylmethyl)amino]propyl]carbamic acid, 1,1-dimethylethyl ester (176982-58-4)

Guidance literature:

Multi-step reaction with 6 steps

1: 80 percent / tetrahydrofuran / 1 h / 20 °C

2: 86 percent / Et₃N / CH₂Cl₂ / 2 h / 20 °C

3: 72 percent / dimethylsulfoxide / 15 h / 40 - 45 °C

4: 94 percent / H₂; NH₃ / Raney Ni / ethanol / 15 h / 20 °C / 4500.36 Torr

5: 98 percent / 3 Angstroem molecular sieves / diethyl ether / 20 h / 20 °C

6: 84 percent / NaBH₄ / ethanol / 3 h / 10 °C

With sodium tetrahydroborate; 3 A molecular sieve; ammonia; hydrogen; triethylamine; nickel; In tetrahydrofuran; diethyl ether; ethanol; dichloromethane; dimethyl sulfoxide; 1: tert-Butyloxycarbonylation / 2: Mesylation / 3: Substitution / 4: Catalytic hydrogenation / 5: Condensation / 6: Reduction;

DOI:10.1021/jm991043x

Reference yield:

(S)-2-t-butoxycarbonylaminopropan-1-ol (79069-13-9) → [1(S)-methyl-3-[(phenylmethyl)amino]propyl]carbamic acid, 1,1-dimethylethyl ester (176982-58-4)

Guidance literature:

Multi-step reaction with 5 steps

1: 86 percent / Et₃N / CH₂Cl₂ / 2 h / 20 °C

2: 72 percent / dimethylsulfoxide / 15 h / 40 - 45 °C

3: 94 percent / H₂; NH₃ / Raney Ni / ethanol / 15 h / 20 °C / 4500.36 Torr

4: 98 percent / 3 Angstroem molecular sieves / diethyl ether / 20 h / 20 °C

5: 84 percent / NaBH₄ / ethanol / 3 h / 10 °C

With sodium tetrahydroborate; 3 A molecular sieve; ammonia; hydrogen; triethylamine; nickel; In diethyl ether; ethanol; dichloromethane; dimethyl sulfoxide; 1: Mesylation / 2: Substitution / 3: Catalytic hydrogenation / 4: Condensation / 5: Reduction;

DOI:10.1021/jm991043x

upstream raw materials:

di-tert-butyl dicarbonate

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

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

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

Downstream raw materials:

3-[(3-cyanopropyl)(phenylmethyl)amino-1(S)-methylpropyl]carbamic acid, 1,1-dimethylethyl ester

[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 (S)

[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 (S)

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