4-Chloro-2-[1-(3,4-dimethylanilino)ethyl]phenol

Base Information

• Chemical Name: 4-Chloro-2-[1-(3,4-dimethylanilino)ethyl]phenol
• CAS No.: 6430-25-7
• Molecular Formula: C20H18 Ge O
• Molecular Weight: 346.952
• DSSTox Substance ID: DTXSID30410653
• Mol file: 6430-25-7.mol

Synonyms:4-chloro-2-[1-(3,4-dimethylanilino)ethyl]phenol;6430-25-7;DTXSID30410653;AE-848/42278667

Chemical Property of 4-Chloro-2-[1-(3,4-dimethylanilino)ethyl]phenol

Chemical Property:

• Vapor Pressure: 2.18E-07mmHg at 25°C
• Boiling Point: 412.4°Cat760mmHg
• Flash Point: 203.2°C
• Density: 1.2g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 275.1076919
• Heavy Atom Count: 19
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(C)C2=C(C=CC(=C2)Cl)O)C

Technology Process of 4-Chloro-2-[1-(3,4-dimethylanilino)ethyl]phenol

There total 2 articles about 4-Chloro-2-[1-(3,4-dimethylanilino)ethyl]phenol 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: 76.0%

triphenylgermyl lithium (3839-32-5) + ethyl acetate (141-78-6) → acetyl-triphenylgermane (6430-25-7)

Guidance literature:

In tetrahydrofuran; byproducts: LiOC2H5, Ge(C6H5)3H; dropwise addn. of organic compd. (via syringe) to a soln. of Li-compd. (prepd. from GePh3 and BuLi in hexane) at room temp. under Ar, stirred for 10 min; quenched with aq. NH4Cl, organic layer extd. (ether), dried over MgSO4, evapd., flash chromy.;

DOI:10.1246/cl.1985.1829

Reference yield:

→ acetyl-triphenylgermane (6430-25-7)

Guidance literature:

a) Triphenylgermyllithium, Acetylchlorid;

DOI:10.1016/S0022-328X(00)92649-4

Reference yield: 74.0%

acetyl-triphenylgermane (6430-25-7) → hexachloroethane (67-72-1) + 1,1,1-trichloroacetone (918-00-3,861255-82-5) + chlorotriphenylgermane (1626-24-0) + acetyl chloride (75-36-5)

Guidance literature:

With tetrachloromethane; In tetrachloromethane; Irradiation (UV/VIS); Ph3GeCOMe photolyzed in CCl4;

DOI:10.1016/0022-328X(86)84028-1

upstream raw materials:

triphenylgermyl lithium

ethyl acetate

Downstream raw materials:

octane

n-hexan-2-one

dimethylglyoxal

cyclohexane