Tert-butyl (2-fluoroethyl)carbamate

Base Information

• Chemical Name: Tert-butyl (2-fluoroethyl)carbamate
• CAS No.: 178181-52-7
• Molecular Formula: C₇H₁₄FNO₂
• Molecular Weight: 163.192
• Hs Code.: 2924297099
• European Community (EC) Number: 828-260-8
• Mol file: 178181-52-7.mol

Synonyms:178181-52-7;tert-butyl (2-fluoroethyl)carbamate;Tert-butyl N-(2-fluoroethyl)carbamate;Carbamic acid, (2-fluoroethyl)-, 1,1-dimethylethyl ester (9CI);Carbamic acid, (2-fluoroethyl)-, 1,1-dimethylethyl ester;tert-Butyl 2-fluoroethylcarbamate;SCHEMBL51351;JBIAEHWXSFAFFH-UHFFFAOYSA-N;MFCD22374847;CS-0435456;EN300-7067998;Carbamic acid,(2-fluoroethyl)-,1,1-dimethylethyl ester(9ci)

Chemical Property of Tert-butyl (2-fluoroethyl)carbamate

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 163.10085685
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99%+ ^*data from raw suppliers

tert-Butyl(2-fluoroethyl)carbamate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCF

Technology Process of Tert-butyl (2-fluoroethyl)carbamate

There total 5 articles about Tert-butyl (2-fluoroethyl)carbamate 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%

di-tert-butyl dicarbonate (24424-99-5) + 2-fluoroethylamine hydrochloride (460-08-2) → tert-butyl (2-fluoroethyl)carbamate (178181-52-7)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at 0 ℃; Inert atmosphere;

Reference yield: 84.0%

2,2-dioxo-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester (459817-82-4) → tert-butyl (2-fluoroethyl)carbamate (178181-52-7)

Guidance literature:

2,2-dioxo-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester; With potassium fluoride; 18-crown-6 ether; In acetonitrile; at 25 ℃; for 24h;

With sulfuric acid; In dichloromethane; water; at 25 ℃; for 6h; regioselective reaction;

DOI:10.1002/ejoc.202200001

Reference yield: 77.0%

2-(tert-butoxycarbonylamino)ethyl-4-methylbenzenesulfonate (158690-56-3) → tert-butyl (2-fluoroethyl)carbamate (178181-52-7)

Guidance literature:

With tetraethylammonium fluoride; In acetonitrile; at 70 ℃; for 0.166667h;

DOI:10.1002/(SICI)1099-1344(199806)41:6<491::AID-JLCR102>3.0.CO;2-9

upstream raw materials:

2-(tert-butoxycarbonylamino)ethyl-4-methylbenzenesulfonate

di-tert-butyl dicarbonate

2-fluoroethylamine hydrochloride

2-(N-tert-butoxycarbonylamino)ethanol