3-Methylbut-2-EN-1-YL 3-oxobutanoate

Base Information

Chemical Name:3-Methylbut-2-EN-1-YL 3-oxobutanoate
CAS No.:21597-32-0
Molecular Formula:C9H14 O3
Molecular Weight:170.208
Hs Code.:2918300090
DSSTox Substance ID:DTXSID00400263
Nikkaji Number:J393.205B
Mol file:21597-32-0.mol

Synonyms:21597-32-0;3-methylbut-2-enyl 3-oxobutanoate;3-METHYLBUT-2-EN-1-YL 3-OXOBUTANOATE;3-Methyl-2-buten-1-yl acetacetate;Acetoacetic acid 3-methyl-2-butenyl ester;SCHEMBL5796636;3-methyl-2-butenyl acetoacetate;DTXSID00400263;HWIAQCZAVCBIHB-UHFFFAOYSA-N;3-Oxobutyric acid isopentenyl ester;MFCD01318628;AKOS006344700;3-oxo-butyric acid 3-methyl-but-2-enyl ester

Suppliers and Price of 3-Methylbut-2-EN-1-YL 3-oxobutanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-METHYL-2-BUTEN-1-YL ACETACETATE 95.00%
10G
$ 1637.21

Total 3 raw suppliers

Chemical Property of 3-Methylbut-2-EN-1-YL 3-oxobutanoate

Chemical Property:

Vapor Pressure:0.0533mmHg at 25°C
Refractive Index:1.443
Boiling Point:234.3°Cat760mmHg
PKA:10.60±0.46(Predicted)
Flash Point:95°C
PSA：43.37000
Density:0.994g/cm³
LogP:1.47490
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:170.094294304
Heavy Atom Count:12
Complexity:200

Purity/Quality:

98%Min ^*data from raw suppliers

3-METHYL-2-BUTEN-1-YL ACETACETATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCOC(=O)CC(=O)C)C

Technology Process of 3-Methylbut-2-EN-1-YL 3-oxobutanoate

There total 2 articles about 3-Methylbut-2-EN-1-YL 3-oxobutanoate 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: 70.0%

: 15973-38-3
acetoacetate of dimethylvinyl carbinol

: 110-93-0,129085-68-3
6-Methyl-hept-5-en-2-on

: 21597-32-0
3-methylbut-2-en-1-yl 3-oxobutanoate

Guidance literature:: With silica gel; at 60 ℃; for 5h;
DOI:10.1016/S0040-4039(00)96654-1

Reference yield: 5.0%

: 115-18-4
2-methyl-3-buten-2-ol

: 141-97-9
ethyl acetoacetate

: 110-93-0,129085-68-3
6-Methyl-hept-5-en-2-on

: 21597-32-0
3-methylbut-2-en-1-yl 3-oxobutanoate

Guidance literature:: In paraffin; 1.) 160 deg C, 6 h, 2.) 180 deg C, 3 h;

Reference yield:

: 21597-32-0
3-methylbut-2-en-1-yl 3-oxobutanoate

: 2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(3-methyl-but-2-enyl) ester 5-(2-nitrooxy-ethyl) ester

Guidance literature:: Multi-step reaction with 2 steps

1: NH₃ / tetrahydrofuran / 24 h / 0 °C

2: 56.4 percent / propan-1-ol / 2 h / Heating

With ammonia; In tetrahydrofuran; propan-1-ol;
DOI:10.1248/cpb.41.108