Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate

Base Information

Chemical Name:Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate
CAS No.:88579-35-5
Molecular Formula:C23H26 O2 S
Molecular Weight:366.524
Hs Code.:2932999099
Mol file:88579-35-5.mol

Synonyms:EDTCPB;ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate

Suppliers and Price of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate

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 1 raw suppliers

Chemical Property of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate

Chemical Property:

Vapor Pressure:6.48E-10mmHg at 25°C
Boiling Point:494.4°C at 760 mmHg
Flash Point:236.7°C
PSA：51.60000
Density:1.105g/cm³
LogP:6.19720
XLogP3:6.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:366.16535124
Heavy Atom Count:26
Complexity:516

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)C=C(C)C2=CC3=C(C=C2)SCCC3(C)C
Isomeric SMILES:CCOC(=O)C1=CC=C(C=C1)/C=C(/C)\C2=CC3=C(C=C2)SCCC3(C)C

Technology Process of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate

There total 14 articles about Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate 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: 62.0%

: 71441-08-2
ethyl 4-(diethoxyphosphorylmethyl)benzoate

: 88579-23-1
3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl methyl ketone

: 88579-35-5
ethyl p-[(E)-2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)propenyl] benzoate

Guidance literature:: With 15-crown-5; sodium hydride; In tetrahydrofuran; for 17h; Ambient temperature;
DOI:10.1021/jm00377a022

Reference yield:

: 88579-23-1
3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl methyl ketone

: 88579-35-5
ethyl p-[(E)-2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)propenyl] benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: 94 percent / LiAlH₄ / diethyl ether / 24 h / Heating

2: 73.1 percent / methanol / 26 h / Ambient temperature

3: 1.) n-BuLi / 1.) ether, hexane, 5 min, 2.) ether, hexane, RT, 36 h

With lithium aluminium tetrahydride; n-butyllithium; In methanol; diethyl ether;
DOI:10.1021/jm00379a021

Reference yield:

: 6287-86-1
p-ethoxycarbonylbenzaldehyde

: 92788-07-3
[1-(4,4-dimethyl-6-thiochromanyl)ethyl]triphenylphosphonium bromide

: 88579-35-5
ethyl p-[(E)-2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)propenyl] benzoate

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1.) ether, hexane, 5 min, 2.) ether, hexane, RT, 36 h;
DOI:10.1021/jm00379a021