4-(t-Butoxycarbonylamino)-2,2-dimethylbutanol

Base Information

• Chemical Name: 4-(t-Butoxycarbonylamino)-2,2-dimethylbutanol
• CAS No.: 179419-05-7
• Molecular Formula: C11H23NO3
• Molecular Weight: 217.30500
• European Community (EC) Number: 843-099-3
• DSSTox Substance ID: DTXSID30450110
• Wikidata: Q82269688
• Mol file: 179419-05-7.mol

Synonyms:179419-05-7;tert-butyl N-(4-hydroxy-3,3-dimethylbutyl)carbamate;4-(t-butoxycarbonylamino)-2,2-dimethylbutanol;tert-Butyl (4-hydroxy-3,3-dimethylbutyl)carbamate;SCHEMBL1164569;(tert-butoxy)-n-(4-hydroxy-3,3-dimethylbutyl)carboxamide;DTXSID30450110;UFWQGKBJLGTMDW-UHFFFAOYSA-N;EN300-314079;4-t-butoxycarbonylamino-2,2-dimethyl-1-butanol;4-(t-butoxycarbonylamino)-2,2-dimethylbutan-1-ol;tert-Butyl(4-hydroxy-3,3-dimethylbutyl)carbamate

Chemical Property of 4-(t-Butoxycarbonylamino)-2,2-dimethylbutanol

Chemical Property:

• Boiling Point: 322.2±25.0 °C(Predicted)
• PSA: 62.05000
• Density: 0.987±0.06 g/cm3(Predicted)
• LogP: 2.12410
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 217.16779360
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

4-(t-Butoxycarbonylamino)-2,2-dimethylbutanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCC(C)(C)CO

Technology Process of 4-(t-Butoxycarbonylamino)-2,2-dimethylbutanol

There total 6 articles about 4-(t-Butoxycarbonylamino)-2,2-dimethylbutanol 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: 96.0%

methyl 4-(tert-butoxycarbonylamino)-2,2-dimethylbutanoate (1131570-12-1) → (tert-butoxy)-N-(4-hydroxy-3,3-dimethylbutyl)carboxamide (179419-05-7)

Guidance literature:

methyl 4-(tert-butoxycarbonylamino)-2,2-dimethylbutanoate; With lithium borohydride; In tetrahydrofuran; at 20 ℃; for 12h;

With water; citric acid; In tetrahydrofuran;

Reference yield: 66.0%

4-amino-2,2-dimethyl-butan-1-ol + di-tert-butyl dicarbonate (24424-99-5) → (tert-butoxy)-N-(4-hydroxy-3,3-dimethylbutyl)carboxamide (179419-05-7)

Guidance literature:

In dichloromethane; at 20 ℃; for 2h;

Reference yield:

3-bromo-2,2-dimethyl-propan-1-ol (40894-00-6) → (tert-butoxy)-N-(4-hydroxy-3,3-dimethylbutyl)carboxamide (179419-05-7)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethyl sulfoxide / 100 °C

2: hydrogen; ammonium hydroxide / Raney nickel / ethanol; water / 48 h / 760.05 Torr

3: dichloromethane / 2 h / 20 °C

With ammonium hydroxide; hydrogen; Raney nickel; In ethanol; dichloromethane; water; dimethyl sulfoxide;

upstream raw materials:

di-tert-butyl dicarbonate

3,3-dimethyl-4-<(trimethylsilyl)oxy>butyronitrile

methyl 4-(tert-butoxycarbonylamino)-2,2-dimethylbutanoate

3-bromo-2,2-dimethyl-propan-1-ol