Propanoic acid, 2,2-dimethyl-, 3-formylphenyl ester

Base Information

• Chemical Name: Propanoic acid, 2,2-dimethyl-, 3-formylphenyl ester
• CAS No.: 134518-89-1
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• DSSTox Substance ID: DTXSID90455808
• Nikkaji Number: J1.655.856G
• Wikidata: Q82277952
• Mol file: 134518-89-1.mol

Synonyms:3-formylphenyl pivalate;134518-89-1;3-pivaloyloxybenzaldehyde;3-pivaloyloxy-benzaldehyde;3-(Pivaloyloxy)benzaldehyde;SCHEMBL1035304;DTXSID90455808;ZBNVLZQFBZYFSC-UHFFFAOYSA-N;3-Formylphenyl pivalate, AldrichCPR;MFCD11888309;AKOS015948473

Chemical Property of Propanoic acid, 2,2-dimethyl-, 3-formylphenyl ester

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 240

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)C(=O)OC1=CC=CC(=C1)C=O

Technology Process of Propanoic acid, 2,2-dimethyl-, 3-formylphenyl ester

There total 3 articles about Propanoic acid, 2,2-dimethyl-, 3-formylphenyl 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%

pivaloyl chloride (3282-30-2) + meta-hydroxybenzaldehyde (100-83-4) → 3-pivaloyloxybenzaldehyde (134518-89-1)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1002/1521-3765(20011015)7:20<4512::AID-CHEM4512>3.0.CO;2-H

Reference yield: 90.0%

pivaloyl chloride (3282-30-2) + benzaldehyde (100-52-7) → 3-pivaloyloxybenzaldehyde (134518-89-1)

Guidance literature:

With pyridine; dmap; In dichloromethane; for 6h; Heating;

DOI:10.1002/chem.200601017

Reference yield:

→ 3-pivaloyloxybenzaldehyde (134518-89-1)

Guidance literature:

upstream raw materials:

pivaloyl chloride

meta-hydroxybenzaldehyde

benzaldehyde

Downstream raw materials:

4-(4-methoxyphenyl)-3-phenyl-4-(3-pivaloyloxyphenyl)but-1-ene

3-(dimethoxymethyl)phenyl pivalate

4-[4-(2-chloroethoxy)phenyl]-4-[3-(pivaloyloxy)phenyl]-3-phenylbut-1-ene

methyl 2-(tert-butylamino)-4-pivaloyl-5-(3-(pivaloyloxy)phenyl)furan-3-carboxylate

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