Methyl tert-butylacetate

Base Information

• Chemical Name: Methyl tert-butylacetate
• CAS No.: 10250-48-3
• Molecular Formula: C7H14 O2
• Molecular Weight: 130.187
• Hs Code.: 2915900090
• European Community (EC) Number: 233-590-5
• DSSTox Substance ID: DTXSID70145199
• Nikkaji Number: J144.105A
• Wikidata: Q83009614
• Mol file: 10250-48-3.mol

Synonyms:Methyl tert-butylacetate;10250-48-3;Methyl 3,3-dimethylbutanoate;Methyl 3,3-dimethylbutyrate;Butanoic acid, 3,3-dimethyl-, methyl ester;Butyric acid, 3,3-dimethyl-, methyl ester;EINECS 233-590-5;methyl t-butylacetate;SCHEMBL167149;Methyl 3,3-dimethylbutanoate #;DTXSID70145199;MFCD00043646;3,3-Dimethylbutyric acid methyl ester;AKOS008904796;3,3-dimethyl-butyric acid methyl ester;AS-77440;CS-0043307;FT-0628317;FT-0628809;D95626;J-000706

Chemical Property of Methyl tert-butylacetate

Chemical Property:

• Vapor Pressure: 14.5mmHg at 25°C
• Refractive Index: 1.3995
• Boiling Point: 121.5°Cat760mmHg
• Flash Point: 25.4°C
• PSA: 26.30000
• Density: 0.881g/cm³
• LogP: 1.59560
• Water Solubility.: Not miscible in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 100

Purity/Quality:

98%,99%, ^*data from raw suppliers

METHYL-TERT-BUTYLACETATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(=O)OC
• Uses: Methyl tert-butylacetate is an oxygenated solvent used alone or in blends for coatings, industrial cleaning and surface treatment. It is used as an intermediate to manufacture pharmaceuticals, synthetic flavorings and other organic compounds.

Technology Process of Methyl tert-butylacetate

There total 22 articles about Methyl tert-butylacetate 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: 100.0%

(E)-tert-Butylketene Methyl tert-Butyldimethylsilyl Acetal (58367-56-9) → methyl 3,3-dimethylbutyrate (10250-48-3)

Guidance literature:

With acetic acid; In chloroform-d1; at 20 ℃; for 0.0833333h; Product distribution; or CF₃COOH, H₂O, and CF₃COCF₃*3H₂O, respectively, other reaction times;

DOI:10.1021/jo00026a013

Reference yield: 98.0%

methanol (67-56-1) + tert-Butylacetic acid (1070-83-3) → methyl 3,3-dimethylbutyrate (10250-48-3)

Guidance literature:

Heating;

DOI:10.1016/S0040-4020(01)92017-4

Reference yield: 86.0%

tert-Butylacetic acid (1070-83-3) + methyl iodide (74-88-4) → methyl 3,3-dimethylbutyrate (10250-48-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1039/b611070c

upstream raw materials:

methanol

3,3-dimethylbutanoic acid chloride

tert-Butylacetic acid

diazomethane

Downstream raw materials:

methyl 2-t-butyl-3-hydroxy-3-(o-nitrophenyl)propionate

methyl 2-t-butyl-3-hydroxy-3-(o-nitrophenyl)propionate

benzyl 3,3-dimethylbutanoate

(E)-2,2,5,5-tetramethylhex-3-ene

Refernces

• 1、 House,H.O. et al.. "-". . p. 700 - 710. Retrieved 1978.
• 2、 Drtina, Gary J.,Sampson, Paul,Wiemer, David F.. "REACTIONS OF γ-ACYLOXY-β-KETOPHOSPHONATES: NEW ROUTES TO 3(2H)- AND 2(3H)-DIHYDROFURANONES". . p. 4467 - 4470. Retrieved 1984.
• 3、 Davidson,J.M.. "-". . p. 193 - 195. Retrieved 1969.
• 4、 Vasil'ev, Andrei,Engman, Lars. "Novel Preparation of α,β-Unsaturated Aldehydes. Benzeneselenolate Promotes Elimination of HBr from α-Bromoacetals". . p. 2151 - 2162. Retrieved 2007/10/03.