Carbamic acid, (1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)- (9CI)

Base Information

• Chemical Name: Carbamic acid, (1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)- (9CI)
• CAS No.: 118080-82-3
• Molecular Formula: C9H15 N O2
• Molecular Weight: 169.2209
• Mol file: 118080-82-3.mol

Synonyms:Carbamicacid, (1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)-; Carbamic acid, [(1R)-1-methyl-2-propynyl]-,1,1-dimethylethyl ester (9CI)

Chemical Property of Carbamic acid, (1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)- (9CI)

Chemical Property:

• Boiling Point: 235.4±23.0 °C(Predicted)
• PKA: 11.34±0.46(Predicted)
• PSA: 41.82000
• Density: 0.974±0.06 g/cm3(Predicted)
• LogP: 1.73720
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

(R)-N-Boc-3-amino-1-butyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: The R-enantiomer of N-Boc-3-amino-1-butyne (B601600).

Technology Process of Carbamic acid, (1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)- (9CI)

There total 22 articles about Carbamic acid, (1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)- (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: 97.0%

Boc-Ala-H (79069-50-4) + dimethyl 1-(1-diazo-2-oxopropyl)phosphonate (90965-06-3) → (S)-1-methyl-N-(t-butoxycarbonyl)-2-propynamine (118080-82-3,118080-79-8)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/cmdc.202000793

Reference yield: 85.0%

((S)-3,3-Dibromo-1-methyl-allyl)-carbamic acid tert-butyl ester (176962-17-7,873009-27-9) → (S)-1-methyl-N-(t-butoxycarbonyl)-2-propynamine (118080-82-3,118080-79-8)

Guidance literature:

((S)-3,3-Dibromo-1-methyl-allyl)-carbamic acid tert-butyl ester; With n-butyllithium; In tetrahydrofuran; hexanes; at -78 ℃; for 1h;

With sodium hydroxide; water; In tetrahydrofuran; hexanes; at -78 - 20 ℃;

Reference yield: 78.0%

dimethyl 1-(1-diazo-2-oxopropyl)phosphonate (90965-06-3) + (2R)-2-N-t-butoxycarbonyl-aminopropanal (82353-56-8) → N-[(1R)-1-methyl-2-propyny-1-yl]carbamic acid 1,1-dimethylethyl ester (118080-82-3)

Guidance literature:

With potassium carbonate; In methanol; at 0 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/cmdc.201800327

upstream raw materials:

Boc-Ala-H

dimethyl diazomethylphosphonate

N-tert-butoxycarbonyl-N-<(S)-1-methyl-2-propynyl>-(R)-O-methylmandelic amide

((S)-3,3-Dibromo-1-methyl-allyl)-carbamic acid tert-butyl ester

Downstream raw materials:

C₂₃H₃₆FNO₄Si

C₁₈H₂₅NO₄

C₃₉H₄₉N₉O₇Si

C₃₂H₄₅N₉O₆Si