(R)-1-Ethyl hydrogen 3-methylglutarate

Base Information

Chemical Name:(R)-1-Ethyl hydrogen 3-methylglutarate
CAS No.:72594-19-5
Molecular Formula:C₈H₁₄O₄
Molecular Weight:174.197
Hs Code.:2918990090
DSSTox Substance ID:DTXSID80455352
Nikkaji Number:J1.441.953E
Wikidata:Q82277311
Mol file:72594-19-5.mol

Synonyms:(R)-1-Ethyl hydrogen 3-methylglutarate;72594-19-5;(3R)-5-ETHOXY-3-METHYL-5-OXOPENTANOIC ACID;(R)-Monoethyl 3-methylglutarate;(R)-mono-Ethyl 3-methylglutarate;DTXSID80455352;AKOS015913669;(R)-3-Methylglutaric acid 1-ethyl ester;(R)-5-ethoxy-3-methyl-5-oxopentanoic acid;(R) pound-1-Ethyl hydrogen 3-methylglutarate;(R)-1-Ethyl hydrogen 3-methylglutarate, >=99.0% (sum of enantiomers, GC)

Suppliers and Price of (R)-1-Ethyl hydrogen 3-methylglutarate

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

Sigma-Aldrich
(R)-1-Ethyl hydrogen 3-methylglutarate ≥99.0% (sum of enantiomers, GC)
1ml
$ 128.00

American Custom Chemicals Corporation
(R)-1-ETHYL HYDROGEN-3-METHYLGLUTARATE 95.00%
25G
$ 16437.75

Total 7 raw suppliers

Chemical Property of (R)-1-Ethyl hydrogen 3-methylglutarate

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Refractive Index:n20/D 1.437
Boiling Point:286.755 °C at 760 mmHg
Flash Point:111.346 °C
PSA：63.60000
Density:1.095 g/cm³
LogP:1.05040
Storage Temp.:2-8°C
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:174.08920892
Heavy Atom Count:12
Complexity:164

Purity/Quality:

99% ^*data from raw suppliers

(R)-1-Ethyl hydrogen 3-methylglutarate ≥99.0% (sum of enantiomers, GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 23-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC(C)CC(=O)O
Isomeric SMILES:CCOC(=O)C[C@H](C)CC(=O)O

Technology Process of (R)-1-Ethyl hydrogen 3-methylglutarate

There total 1 articles about (R)-1-Ethyl hydrogen 3-methylglutarate 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:

: 6829-42-1
diethyl 3-methylglutarate

: 72594-19-5
(R)-1-ethyl hydrogen-3-methylglutarate

: 847054-58-4
ethyl 3-methylglutarate

Guidance literature:: at 25 ℃; for 1.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; pig liver esterase, phosphate buffer pH 8.0;
DOI:10.1021/ja00389a064

Reference yield:

: 72594-19-5
(R)-1-ethyl hydrogen-3-methylglutarate

: (S)-5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spiro[4.5]dec-8-yl]-3-methyl-5-oxo-pentanoic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 83 percent / DMAP; DCC / CH₂Cl₂ / 20 h / 20 °C

2: 81 percent / aq. LiOH / tetrahydrofuran / 18 h / 20 °C

3: 86 percent / HBTU; DIEA / dimethylformamide / 17 h / 20 °C

4: H₂S (gas); Et₃N; pyridine / 20 °C

5: acetone / 20 °C

6: NH₄OAc / methanol / 20 °C

7: TFA

With pyridine; dmap; lithium hydroxide; hydrogen sulfide; ammonium acetate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm030354b

Reference yield:

: 72594-19-5
(R)-1-ethyl hydrogen-3-methylglutarate

: (R)-5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spiro[4.5]dec-8-yl]-3-methyl-5-oxo-pentanoic acid

Guidance literature:: Multi-step reaction with 5 steps

1: EDC*HCl; HOBt / dimethylformamide

2: H₂S (gas); Et₃N; pyridine / 20 °C

3: acetone / 20 °C

4: NH₄OAc / methanol / 20 °C

5: aq. LiOH / tetrahydrofuran / 20 °C

With pyridine; lithium hydroxide; hydrogen sulfide; ammonium acetate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; methanol; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm030354b