Carbonic acid, 1,1-dimethylethyl 2-formyl-4-methylphenyl ester

Base Information

• Chemical Name: Carbonic acid, 1,1-dimethylethyl 2-formyl-4-methylphenyl ester
• CAS No.: 828933-84-2
• Molecular Formula: C13H16O4
• Molecular Weight: 236.268
• DSSTox Substance ID: DTXSID10464775
• Wikidata: Q82290259
• Mol file: 828933-84-2.mol

Synonyms:828933-84-2;Carbonic acid, 1,1-dimethylethyl 2-formyl-4-methylphenyl ester;DTXSID10464775

Chemical Property of Carbonic acid, 1,1-dimethylethyl 2-formyl-4-methylphenyl ester

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 280

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: CC1=CC(=C(C=C1)OC(=O)OC(C)(C)C)C=O

Technology Process of Carbonic acid, 1,1-dimethylethyl 2-formyl-4-methylphenyl ester

There total 1 articles about Carbonic acid, 1,1-dimethylethyl 2-formyl-4-methylphenyl 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: 95.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-hydroxy-5-methylbenzaldehyde (613-84-3) → tert-butyl (2-formyl-4-methylphenyl) carbonate (828933-84-2)

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1021/jo048703c

Reference yield: 90.0%

(1R,2S)-2-phenylcyclohexyl vinyl ether (135500-31-1,127598-16-7) + phenylmagnesium bromide + tert-butyl (2-formyl-4-methylphenyl) carbonate (828933-84-2) → (2S,4R)-6-Methyl-4-phenyl-2-((1R,2S)-2-phenyl-cyclohexyloxy)-chroman (828933-85-3)

Guidance literature:

In diethyl ether; at -78 - 20 ℃; for 3h;

DOI:10.1021/jo048703c

Reference yield:

tert-butyl (2-formyl-4-methylphenyl) carbonate (828933-84-2) → (4R)-6-methyl-4-phenylchroman-2-ol (828933-86-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / diethyl ether / 3 h / -78 - 20 °C

2: 85 percent / H₂O; CSA / acetonitrile; tetrahydrofuran / 6 h / 100 °C

With camphor-10-sulfonic acid; water; In tetrahydrofuran; diethyl ether; acetonitrile;

DOI:10.1021/jo048703c

upstream raw materials:

di-tert-butyl dicarbonate

2-hydroxy-5-methylbenzaldehyde

Downstream raw materials:

(2S,4R)-6-Methyl-4-phenyl-2-((1R,2S)-2-phenyl-cyclohexyloxy)-chroman

(4R)-6-methyl-4-phenylchroman-2-ol