Octanoic acid, 2-(dimethylamino)-1-phenylpropyl ester, [R-(R,S)]-

Base Information

Chemical Name:Octanoic acid, 2-(dimethylamino)-1-phenylpropyl ester, [R-(R*,S*)]-
CAS No.:114264-02-7
Molecular Formula:C₁₉H₃₁NO₂
Molecular Weight:305.461
Hs Code.:
DSSTox Substance ID:DTXSID701161482

Synonyms:DTXSID701161482;Octanoic acid, 2-(dimethylamino)-1-phenylpropyl ester, [R-(R*,S*)]-;114264-02-7

Suppliers and Price of Octanoic acid, 2-(dimethylamino)-1-phenylpropyl ester, [R-(R*,S*)]-

Supply Marketing:

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

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Chemical Property of Octanoic acid, 2-(dimethylamino)-1-phenylpropyl ester, [R-(R*,S*)]-

Chemical Property:

XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:11
Exact Mass:305.235479232
Heavy Atom Count:22
Complexity:298

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Octanoic acid, 2-(dimethylamino)-1-phenylpropyl ester, [R-(R*,S*)]-

There total 1 articles about Octanoic acid, 2-(dimethylamino)-1-phenylpropyl ester, [R-(R*,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: 89.2%

: 552-79-4
(-)-N-methylephedrine

: 111-64-8
n-octanoic acid chloride

: 114264-02-7
(1R,2S)-2-(dimethylamino)-1-phenylpropyl octanoate

Guidance literature:: In various solvent(s); for 72h; Ambient temperature;
DOI:10.1002/hlca.19870700522

Reference yield:

: 114264-02-7
(1R,2S)-2-(dimethylamino)-1-phenylpropyl octanoate

: 68711-40-0,104871-99-0,104872-00-6,104872-03-9,104872-05-1,104872-07-3,104872-19-7,104872-06-2
(3S,4S)-3-hexyl-4-[(R)-2-hydroxytridecyl]-2-oxetanone

Guidance literature:: Multi-step reaction with 5 steps

1: BuLi / tetrahydrofuran / 1 h / -78 °C

2: TiCl₄ / CH₂Cl₂ / 1.5 h / -78 °C

3: 64 percent / KOH/MeOH / 3 h / Heating

4: 61 percent / benzenesulfonyl chloride / pyridine / 24 h / 0 °C

5: 70 percent / hydrogen / Pd/C (10percent) / tetrahydrofuran / Ambient temperature

With methanol; potassium hydroxide; n-butyllithium; hydrogen; titanium tetrachloride; benzenesulfonyl chloride; palladium on activated charcoal; In tetrahydrofuran; pyridine; dichloromethane;
DOI:10.1002/hlca.19870700522

Reference yield:

: 114264-02-7
(1R,2S)-2-(dimethylamino)-1-phenylpropyl octanoate

: 104872-04-0,104872-27-7,104872-28-8,111466-61-6,111466-62-7,111466-63-8,130193-40-7,130193-41-8,130193-42-9,130193-43-0,96829-58-2,1225451-00-2
Orlistat

Guidance literature:: Multi-step reaction with 6 steps

1: BuLi / tetrahydrofuran / 1 h / -78 °C

2: TiCl₄ / CH₂Cl₂ / 1.5 h / -78 °C

3: 64 percent / KOH/MeOH / 3 h / Heating

4: 61 percent / benzenesulfonyl chloride / pyridine / 24 h / 0 °C

5: 70 percent / hydrogen / Pd/C (10percent) / tetrahydrofuran / Ambient temperature

6: 77 percent / triphenylphosphine diethyl azodicarboxylate / tetrahydrofuran / 1.) 0 deg C, 1 h; 2.) room temp. 2 h

With methanol; potassium hydroxide; n-butyllithium; hydrogen; titanium tetrachloride; benzenesulfonyl chloride; triphenylphosphine; diethylazodicarboxylate; palladium on activated charcoal; In tetrahydrofuran; pyridine; dichloromethane;
DOI:10.1002/hlca.19870700522