tert-Butyl (5-methylisoxazol-3-yl)carbamate

Base Information

• Chemical Name: tert-Butyl (5-methylisoxazol-3-yl)carbamate
• CAS No.: 97517-66-3
• Molecular Formula: C9H14 N2 O3
• Molecular Weight: 198.222
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10453427
• Nikkaji Number: J730.200B
• Wikidata: Q82274571
• Mol file: 97517-66-3.mol

Synonyms:97517-66-3;tert-Butyl (5-methylisoxazol-3-yl)carbamate;tert-butyl 5-methylisoxazol-3-ylcarbamate;Tert-butyl N-(5-methyl-1,2-oxazol-3-yl)carbamate;CARBAMIC ACID, (5-METHYL-3-ISOXAZOLYL)-, 1,1-DIMETHYLETHYL ESTER (9CI);SCHEMBL2174857;DTXSID10453427;ZDQNLVVSJSRECT-UHFFFAOYSA-N;XDA51766;MFCD11976787;AKOS014315806;AC-27127;AS-65878;t-Butyl (5-methylisoxazol-3-yl)carbamate;tert-Butyl(5-methylisoxazol-3-yl)carbamate;3-tert-butoxycarbonylamino-5-methylisoxazole;CS-0036490;FT-0708092;W12787;tert-Butyl (5-methyl-1,2-oxazol-3-yl)carbamate;(5-methyl-isoxazol-3-yl) carbamic acid tert-butyl ester;(5-Methyl-isoxazol-3-yl)-carbamic acid tert-butyl ester;(5-methyl-isoxazol-3-yl)carbamic acid tert-butyl ester;N-(5-Methylisoxazol-3-yl)carbamic acid tert-butyl ester

Chemical Property of tert-Butyl (5-methylisoxazol-3-yl)carbamate

Chemical Property:

• PSA: 64.36000
• LogP: 2.40300
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 198.10044231
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

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

tert-butyl5-methylisoxazol-3-ylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NO1)NC(=O)OC(C)(C)C

Technology Process of tert-Butyl (5-methylisoxazol-3-yl)carbamate

There total 2 articles about tert-Butyl (5-methylisoxazol-3-yl)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: 63.0%

5-methylisoxazol-3-ylamine (1072-67-9) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl (5-methylisoxazol-3-yl)carbamate (97517-66-3)

Guidance literature:

5-methylisoxazol-3-ylamine; di-tert-butyl dicarbonate; With pyridine; at 20 ℃;

With methanol; sodium hydroxide; water; at 20 ℃; for 3h;

Reference yield: 45.0%

5-methylisoxazole 3-carboxylic acid (3405-77-4) + tert-butyl alcohol (75-65-0) → tert-butyl (5-methylisoxazol-3-yl)carbamate (97517-66-3)

Guidance literature:

With diphenylphosphoranyl azide; triethylamine; for 18h; Reflux;

Reference yield:

C16H15F3N2O6S (1112968-97-4) + tert-butyl (5-methylisoxazol-3-yl)carbamate (97517-66-3) → C24H25F3N4O6 (1112969-01-3)

Guidance literature:

tert-butyl (5-methylisoxazol-3-yl)carbamate; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 35 ℃; for 0.75h;

C₁₆H₁₅F₃N₂O₆S; In N,N-dimethyl-formamide; mineral oil; at 50 ℃; for 1.5h;

upstream raw materials:

5-methylisoxazol-3-ylamine

di-tert-butyl dicarbonate

5-methylisoxazole 3-carboxylic acid

tert-butyl alcohol

Downstream raw materials:

(4-Benzyl-5-methyl-isoxazol-3-yl)-carbamic acid tert-butyl ester

DIV₀₁₃₈₉

3-tert-Butoxycarbonylamino-5-methyl-isoxazole-4-carboxylic acid

C₂₄H₂₅F₃N₄O₆