Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)

Base Information

• Chemical Name: Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)
• CAS No.: 151978-50-6
• Molecular Formula: C10H17 N O2
• Molecular Weight: 183.25
• Hs Code.: 2924199090
• Mol file: 151978-50-6.mol

Synonyms:Carbamicacid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI);5-(tert-Butoxycarbonyl)amino-1-pentyne; N-(Pent-4-ynyl)carbamic acid tert-butylester; tert-Butyl (4-pentynyl)carbamate

Chemical Property of Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)

Chemical Property:

• Boiling Point: 267.2±23.0 °C(Predicted)
• PKA: 12.61±0.46(Predicted)
• PSA: 41.82000
• Density: 0.965±0.06 g/cm3(Predicted)
• LogP: 2.12890

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-4-pentyne-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)

There total 9 articles about Carbamic acid, 4-pentynyl-, 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: 94.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-amino-pent-4-yne (15252-44-5) → N-(tert-butoxycarbonyl)-pent-4-ynyl-1-amine (151978-50-6)

Guidance literature:

In tetrahydrofuran; water; at 23 ℃; for 14h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03557

Reference yield: 94.0%

C14H21NO5 (1360804-76-7) → N-(tert-butoxycarbonyl)-pent-4-ynyl-1-amine (151978-50-6)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 3h;

DOI:10.1021/jm201348t

Reference yield: 85.0%

hex-5-ynoic acid (53293-00-8) + tert-butyl alcohol (75-65-0) → N-(tert-butoxycarbonyl)-pent-4-ynyl-1-amine (151978-50-6)

Guidance literature:

With trimethylsilylazide; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In tetrahydrofuran; Reflux;

DOI:10.1055/s-0030-1259964

upstream raw materials:

di-tert-butyl dicarbonate

1-amino-pent-4-yne

pent-4-ynenitrile

hex-5-ynoic acid

Downstream raw materials:

tert-butyl 1,2,3,4-tetrahydro-1-pyridinecarboxylate

tert-butyl 3-(5-(3,4-dimethoxyphenylcarbamoyl)-1H-indol-2-yl)propylcarbamate

2-(3-amino-propyl)-1H-indole-5-carboxylic acid (3,4-dimethoxy-phenyl)-amide

{5-[2-amino-5-(3,4-dimethoxy-phenylcarbamoyl)-phenyl]-pent-4-ynyl}-methyl-carbamic acid tert-butyl ester