(3R)-6-Oxo-3-(propan-2-yl)heptanoic acid

Base Information

Chemical Name:(3R)-6-Oxo-3-(propan-2-yl)heptanoic acid
CAS No.:80845-81-4
Molecular Formula:C₁₀H₁₈O₃
Molecular Weight:186.251
Hs Code.:
DSSTox Substance ID:DTXSID60509382
Nikkaji Number:J52.566I
Wikidata:Q82366897

Synonyms:80845-81-4;(3R)-6-Oxo-3-(propan-2-yl)heptanoic acid;DTXSID60509382;ZLKOMEDABHKFAC-SECBINFHSA-N;3-Isopropyl-6-oxoheptanoic acid #;R-(+)-3-Isopropyl-6-oxoheptanoic acid

Suppliers and Price of (3R)-6-Oxo-3-(propan-2-yl)heptanoic acid

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (3R)-6-Oxo-3-(propan-2-yl)heptanoic acid

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:186.125594432
Heavy Atom Count:13
Complexity:185

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (3R)-6-Oxo-3-(propan-2-yl)heptanoic acid

There total 1 articles about (3R)-6-Oxo-3-(propan-2-yl)heptanoic acid 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: 50.0%

: 1195-31-9,5502-88-5,34363-01-4
(+)-p-menth-1-ene

: 80845-81-4
(R)-(+)-3-isopropyl-6-oxoheptanoic acid

: 5729-92-0
(1S,2R,4R)-4-isopropyl-1-methylcyclohexane-1,2-diol

: 1975-33-3
(1S,4R)-1-hydroxy-p-menthan-2-one

: 5-((3aS,6R,7aR)-6-Isopropyl-3a-methyl-hexahydro-benzo[1,3]dioxol-2-ylmethyl)-6-methyl-heptan-2-one

Guidance literature:: With ruthenium tetroxide; In water; acetone; at -70 ℃; for 0.166667h;

Reference yield:

: 80845-81-4
(R)-(+)-3-isopropyl-6-oxoheptanoic acid

: 91201-50-2
Methyl <1(R,S),4(E,Z),8R>-5-Methyl-8-(1-methylethyl)-1-(phenylthio)-4-cyclodecenecarboxylate

Guidance literature:: Multi-step reaction with 13 steps

1: diethyl ether / 0.08 h

2: 98 percent / p-TsOH / benzene / Heating

3: 43.6 g / LiAlH₄ / diethyl ether / 1) -5 to 0 deg C 2) 0-10 deg C

4: 52 g / pyridine / Ambient temperature

5: 35percent HClO₄ / tetrahydrofuran / 0.08 h / 0 °C

6: 1) Mg / 1) THF, 2) THF, -5 to 0 deg C

7: 47percent aqueous HBr / 0.17 h / < 0 deg C

8: 71 percent / 50percent NaOH / n-Bu₄NBr / benzene / 0.67 h / Heating

9: NaOMe / methanol / 0.5 h / Ambient temperature

10: 81 percent / pyridine / 3 h / 0 °C

11: 80 percent / NaN(SiMe₃)2 / 1,2-dimethoxy-ethane / Heating

12: aqueous KOH / 2-methoxy-ethanol; ethane-1,2-diol / 48 h / 170 - 175 °C

13: diethyl ether

With pyridine; potassium hydroxide; sodium hydroxide; lithium aluminium tetrahydride; perchloric acid; hydrogen bromide; sodium methylate; sodium hexamethyldisilazane; magnesium; tetrabutylammomium bromide; toluene-4-sulfonic acid; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; diethyl ether; 2-methoxy-ethanol; ethylene glycol; benzene;
DOI:10.1021/jo00192a007

Reference yield:

: 80845-81-4
(R)-(+)-3-isopropyl-6-oxoheptanoic acid

: Acetic acid (E)-(R)-10-cyano-3-isopropyl-6-methyl-10-phenylsulfanyl-dec-6-enyl ester

Guidance literature:: Multi-step reaction with 8 steps

1: diethyl ether / 0.08 h

2: 98 percent / p-TsOH / benzene / Heating

3: 43.6 g / LiAlH₄ / diethyl ether / 1) -5 to 0 deg C 2) 0-10 deg C

4: 52 g / pyridine / Ambient temperature

5: 35percent HClO₄ / tetrahydrofuran / 0.08 h / 0 °C

6: 1) Mg / 1) THF, 2) THF, -5 to 0 deg C

7: 47percent aqueous HBr / 0.17 h / < 0 deg C

8: 71 percent / 50percent NaOH / n-Bu₄NBr / benzene / 0.67 h / Heating

With pyridine; sodium hydroxide; lithium aluminium tetrahydride; perchloric acid; hydrogen bromide; magnesium; tetrabutylammomium bromide; toluene-4-sulfonic acid; In tetrahydrofuran; diethyl ether; benzene;
DOI:10.1021/jo00192a007