Benzeneacetic acid, alpha-methyl-, 1-[1-methyl-3-(1-methylethoxy)-3-oxopropyl]pentyl ester, [alphaR-[alphaR[S(S*)]]]-

Base Information

Chemical Name:Benzeneacetic acid, alpha-methyl-, 1-[1-methyl-3-(1-methylethoxy)-3-oxopropyl]pentyl ester, [alphaR-[alphaR*[S*(S*)]]]-
CAS No.:105015-50-7
Molecular Formula:C₂₁H₃₂O₄
Molecular Weight:348.483
Hs Code.:
DSSTox Substance ID:DTXSID801109683

Synonyms:DTXSID801109683;105015-50-7;Benzeneacetic acid, alpha-methyl-, 1-[1-methyl-3-(1-methylethoxy)-3-oxopropyl]pentyl ester, [alphaR-[alphaR*[S*(S*)]]]-

Suppliers and Price of Benzeneacetic acid, alpha-methyl-, 1-[1-methyl-3-(1-methylethoxy)-3-oxopropyl]pentyl ester, [alphaR-[alphaR*[S*(S*)]]]-

Supply Marketing:

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

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Chemical Property of Benzeneacetic acid, alpha-methyl-, 1-[1-methyl-3-(1-methylethoxy)-3-oxopropyl]pentyl ester, [alphaR-[alphaR*[S*(S*)]]]-

Chemical Property:

XLogP3:5.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:348.23005950
Heavy Atom Count:25
Complexity:399

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCC(C(C)CC(=O)OC(C)C)OC(=O)C(C)C1=CC=CC=C1
Isomeric SMILES:CCCC[C@@H]([C@@H](C)CC(=O)OC(C)C)OC(=O)[C@H](C)C1=CC=CC=C1

Technology Process of Benzeneacetic acid, alpha-methyl-, 1-[1-methyl-3-(1-methylethoxy)-3-oxopropyl]pentyl ester, [alphaR-[alphaR*[S*(S*)]]]-

There total 4 articles about Benzeneacetic acid, alpha-methyl-, 1-[1-methyl-3-(1-methylethoxy)-3-oxopropyl]pentyl ester, [alphaR-[alphaR*[S*(S*)]]]- 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:

: 89163-43-9,39212-23-2,39638-67-0,55013-32-6,80041-00-5,80041-01-6,99530-35-5,105015-53-0,105119-22-0
cis-5-n-butyl-4-methyl-4,5-dihydro-2(3H)-furanone

: 105015-50-7
(3S,4S)-3-Methyl-4-<(R)-2-phenylpropionyloxy>octansaeure-isopropylester

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) KOH / 1.) MeOH, 20 deg C, 20 h; 2.) DMF, 20 deg C, 24 h

2: 4-(dimethylamino)pyridine / CCl₄ / 3 h / 20 °C

With dmap; potassium hydroxide; In tetrachloromethane;

Reference yield:

: 36240-11-6
(R)-(-)-2-phenylpropionyl chloride

: 104910-75-0
i‐propyl‐4‐hydroxy‐3‐methyloctanoate

: 105015-50-7
(3S,4S)-3-Methyl-4-<(R)-2-phenylpropionyloxy>octansaeure-isopropylester

: 104910-74-9
(3R,4R)-3-Methyl-4-<(R)-2-phenylpropionyloxy>octansaeure-isopropylester

Guidance literature:: With dmap; In tetrachloromethane; at 20 ℃; for 3h;

Reference yield:

: 110-62-3
pentanal

: 105015-50-7
(3S,4S)-3-Methyl-4-<(R)-2-phenylpropionyloxy>octansaeure-isopropylester

Guidance literature:: Multi-step reaction with 4 steps

1: 73 percent / (PhCOO)2 / 9 h / 80 °C

3: 1.) KOH / 1.) MeOH, 20 deg C, 20 h; 2.) DMF, 20 deg C, 24 h

4: 4-(dimethylamino)pyridine / CCl₄ / 3 h / 20 °C

With dmap; potassium hydroxide; dibenzoyl peroxide; In tetrachloromethane;