4-[1-Dimethylamino-3-[2-[2-(3-ethylphenyl)ethyl]phenoxy]propan-2-yl]ox y-4-oxo-butanoic acid hydrochloride

Base Information

Chemical Name:4-[1-Dimethylamino-3-[2-[2-(3-ethylphenyl)ethyl]phenoxy]propan-2-yl]ox y-4-oxo-butanoic acid hydrochloride
CAS No.:86819-20-7
Molecular Formula:C₂₄H₃₁NO₆*ClH
Molecular Weight:465.974
Hs Code.:
DSSTox Substance ID:DTXSID601007120
Mol file:86819-20-7.mol

Synonyms:DTXSID601007120;4-[1-Dimethylamino-3-[2-[2-(3-ethylphenyl)ethyl]phenoxy]propan-2-yl]ox y-4-oxo-butanoic acid hydrochloride;4-{[1-(Dimethylamino)-3-{2-[2-(3-ethylphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic acid--hydrogen chloride (1/1)

Suppliers and Price of 4-[1-Dimethylamino-3-[2-[2-(3-ethylphenyl)ethyl]phenoxy]propan-2-yl]ox y-4-oxo-butanoic acid hydrochloride

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
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price

Total 3 raw suppliers

Chemical Property of 4-[1-Dimethylamino-3-[2-[2-(3-ethylphenyl)ethyl]phenoxy]propan-2-yl]ox y-4-oxo-butanoic acid hydrochloride

Chemical Property:

Vapor Pressure:3.79E-14mmHg at 25°C
Boiling Point:576.9°C at 760 mmHg
Flash Point:302.7°C
PSA：76.07000
LogP:4.55320
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:14
Exact Mass:463.2125509
Heavy Atom Count:32
Complexity:538

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=CC(=CC=C1)CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(=O)O.Cl

Technology Process of 4-[1-Dimethylamino-3-[2-[2-(3-ethylphenyl)ethyl]phenoxy]propan-2-yl]ox y-4-oxo-butanoic acid hydrochloride

There total 6 articles about 4-[1-Dimethylamino-3-[2-[2-(3-ethylphenyl)ethyl]phenoxy]propan-2-yl]ox y-4-oxo-butanoic acid hydrochloride 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: 95.4%

: 108-30-5
succinic acid anhydride

: 135261-74-4
(±)-1-{2-[2-(3-methoxyphenyl)ethyl]-phenoxy}-3-(dimethylamino)-2-propanol hydrochloride

: 135159-51-2,86819-20-7
sarpogrelate hydrochloride

Guidance literature:: (±)-1-{2-[2-(3-methoxyphenyl)ethyl]-phenoxy}-3-(dimethylamino)-2-propanol hydrochloride; With sodium hydroxide; In dichloromethane; water;

succinic acid anhydride; In tetrahydrofuran; at 35 - 40 ℃;

With hydrogenchloride; In water; for 1h; pH=3;

Reference yield: 92.5%

: 108-30-5
succinic acid anhydride

: 135963-42-7,127003-40-1
(R,S)-1-<2-<2-(3-methoxyphenyl)ethyl>phenoxy>-3-(dimethylamino)-2-propanol

: 135159-51-2,86819-20-7
sarpogrelate hydrochloride

Guidance literature:: succinic acid anhydride; (R,S)-1-<2-<2-(3-methoxyphenyl)ethyl>phenoxy>-3-(dimethylamino)-2-propanol; In acetone; for 6h; Reflux;

With hydrogenchloride; In acetone; at 0 - 20 ℃; for 8h; pH=1 - 2; Concentration;

Reference yield:

: 167145-13-3
2-[2-(3-methoxyphenyl)ethyl]phenol

: 135159-51-2,86819-20-7
sarpogrelate hydrochloride

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / toluene; water / 8 h / Reflux

2.1: water; tetrahydrofuran / 3 h / 750.08 Torr / Inert atmosphere; Autoclave

3.1: acetone / 6 h / Reflux

3.2: 8 h / 0 - 20 °C / pH 1 - 2

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In tetrahydrofuran; water; acetone; toluene;