Tert-butyl 2,6-dihydroxybenzoate

Base Information

• Chemical Name: Tert-butyl 2,6-dihydroxybenzoate
• CAS No.: 66921-96-8
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• DSSTox Substance ID: DTXSID70563915
• Wikidata: Q82448431
• Mol file: 66921-96-8.mol

Synonyms:tert-butyl 2,6-dihydroxybenzoate;66921-96-8;SCHEMBL7753553;DTXSID70563915

Chemical Property of Tert-butyl 2,6-dihydroxybenzoate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=C(C=CC=C1O)O

Technology Process of Tert-butyl 2,6-dihydroxybenzoate

There total 3 articles about Tert-butyl 2,6-dihydroxybenzoate 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: 65.0%

2,6-Dihydroxybenzoic acid (303-07-1) + N,N-dimethylformamide di-tert-butyl acetal (36805-97-7) → tert-butyl 2,6-dihydroxybenzoate (66921-96-8)

Guidance literature:

In benzene; at 80 ℃; for 0.166667h;

DOI:10.1016/S0040-4020(01)87908-4

Reference yield: 61.0%

tert-Butyl 2,2,2-trichloroacetimidate (98946-18-0) + 2,6-Dihydroxybenzoic acid (303-07-1) → tert-butyl 2,6-dihydroxybenzoate (66921-96-8)

Guidance literature:

In dichloromethane; at 20 ℃;

Reference yield:

2,6-Dihydroxybenzoic acid (303-07-1) + tert-butyl alcohol (75-65-0) → tert-butyl 2,6-dihydroxybenzoate (66921-96-8)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide;

upstream raw materials:

2,6-Dihydroxybenzoic acid

tert-butyl alcohol

N,N-dimethylformamide di-tert-butyl acetal

tert-Butyl 2,2,2-trichloroacetimidate

Downstream raw materials:

2-(3-{2-[(S)-2-(2-Benzyloxycarbonylamino-acetylamino)-propionylsulfanyl]-ethoxy}-propoxy)-6-{3-[2-((R)-2-tert-butoxycarbonylamino-propionylsulfanyl)-ethoxy]-propoxy}-benzoic acid

2-{3-[2-(2-Benzyloxycarbonylamino-acetylsulfanyl)-ethoxy]-propoxy}-6-{3-[2-((S)-2-tert-butoxycarbonylamino-propionylsulfanyl)-ethoxy]-propoxy}-benzoic acid tert-butyl ester

2-[3-(2-{(R)-2-[(S)-2-(2-Benzyloxycarbonylamino-acetylamino)-propionylamino]-propionylsulfanyl}-ethoxy)-propoxy]-6-[3-(2-mercapto-ethoxy)-propoxy]-benzoic acid

2-{2-[2-(2-Benzyloxycarbonylamino-acetylsulfanyl)-ethoxy]-ethoxy}-6-{2-[2-((S)-2-tert-butoxycarbonylamino-propionylsulfanyl)-ethoxy]-ethoxy}-benzoic acid tert-butyl ester