Nitric acid, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Nitric acid, 1,1-dimethylethyl ester
• CAS No.: 926-05-6
• Molecular Formula: C4H9 N O3
• Molecular Weight: 119.12
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID20239057
• Wikidata: Q83121404
• Mol file: 926-05-6.mol

Synonyms:tert-butyl nitrate;Nitric acid, 1,1-dimethylethyl ester;926-05-6;tert-butylnitrate;t-butyl nitrate;nitric acid tert-butyl ester;SCHEMBL324328;DTXSID20239057

Chemical Property of Nitric acid, 1,1-dimethylethyl ester

Chemical Property:

• Vapor Pressure: 20.1mmHg at 25°C
• Boiling Point: 118.2°Cat760mmHg
• Flash Point: 35.8°C
• PSA: 55.05000
• Density: 1.047g/cm³
• LogP: 1.51640
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 119.058243149
• Heavy Atom Count: 8
• Complexity: 88.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)O[N+](=O)[O-]

Technology Process of Nitric acid, 1,1-dimethylethyl ester

There total 13 articles about Nitric acid, 1,1-dimethylethyl ester 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%

benzoic acid tert-butyl ester (774-65-2) → tert-butyl nitrate (926-05-6) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With nitric acid; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1016/S0040-4039(98)02079-6

Reference yield: 96.0%

t-butyl phenylacetate (16537-09-0) → phenylacetic acid (103-82-2) + tert-butyl nitrate (926-05-6)

Guidance literature:

With nitric acid; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1016/S0040-4039(98)02079-6

Reference yield: 96.0%

tert-butyl cinnamate (14990-09-1) → tert-butyl nitrate (926-05-6) + (E)-3-phenylacrylic acid (140-10-3)

Guidance literature:

With nitric acid; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1016/S0040-4039(98)02079-6

upstream raw materials:

tert.-butylhydroperoxide

diazomethane

tert-butyl acetoacetate

acetic acid tert-butyl ester

Downstream raw materials:

isobutene

tert-butyl alcohol