Acetic acid, oxo-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Acetic acid, oxo-, 1,1-dimethylethyl ester
• CAS No.: 7633-32-1
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• European Community (EC) Number: 823-682-9
• DSSTox Substance ID: DTXSID10450719
• Nikkaji Number: J1.428.625J
• Wikidata: Q82270524
• Mol file: 7633-32-1.mol

Synonyms:Tert-butyl 2-oxoacetate;7633-32-1;Acetic acid, oxo-, 1,1-dimethylethyl ester;t-butyl glyoxalate;t-butyl glyoxylate;Glyoxylic acid tert-butyl ester;tert-butyl glyoxalate;tert-butyl glyoxylate;Tert-butyl2-oxoacetate;SCHEMBL1913508;DTXSID10450719;WDPZTIFGRQKSEN-UHFFFAOYSA-N;AKOS017530341;AT31142;EN300-91991

Chemical Property of Acetic acid, oxo-, 1,1-dimethylethyl ester

Chemical Property:

• Boiling Point: 34 °C(Press: 11 Torr)
• PSA: 43.37000
• Density: 1.013±0.06 g/cm3(Predicted)
• LogP: 0.52700
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 121

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)OC(=O)C=O

Technology Process of Acetic acid, oxo-, 1,1-dimethylethyl ester

There total 12 articles about Acetic acid, oxo-, 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: 98.0%

(4R,5R)-di-tert-butyl tartrate (117384-45-9) → tert-butyl glyoxylate (7633-32-1)

Guidance literature:

With sodium periodate; In methanol; water; at 0 ℃; for 1.33333h;

DOI:10.1021/jo020442o

Reference yield: 69.0%

di-tert-butyl tartrate (412027-38-4) → tert-butyl glyoxylate (7633-32-1)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1002/anie.201809310

Reference yield: 32.0%

tert-butoxycarbonylmethyl nitrate (13994-41-7) → tert-butyl glyoxylate (7633-32-1)

Guidance literature:

With sodium acetate; In dimethyl sulfoxide; at 20 ℃; for 0.333333h;

DOI:10.1039/c2cc17339e

upstream raw materials:

1-bromo-1-methoxyacetate de tertiobutyle

2-t-butoxyacetic acid t-butyl ester

di-tert-butyl fumarate

(4R,5R)-di-tert-butyl tartrate

Downstream raw materials:

5,5-dimethyl-2,5-dihydro-thiazole-2-carboxylic acid tert-butyl ester

(Dimethyl-hydrazono)-acetic acid tert-butyl ester

2-Hydroxy-3-(5-methyl-furan-2-yl)-propionic acid tert-butyl ester

t-butyl α-hydroxy-α-(2-oxo-4-vinylazetidin-1-yl)acetate

Refernces

• 1、 Hashimoto, Akiko,Takamura-Enya, Takeji,Oda, Yoshimitsu. "Synthesis and In Vitro Biological Evaluation of Psoralen-Linked Fullerenes". . p. 1403 - 1411. Retrieved 2019/09/03.
• 2、 Saarbach, Jacques,Masi, Daniela,Zambaldo, Claudio,Winssinger, Nicolas. "Facile access to modified and functionalized PNAs through Ugi-based solid phase oligomerization". supporting information. p. 5171 - 5177. Retrieved 2017/09/26.