(R)-1-(3,4-Dichloro-phenyl)-3-dimethylamino-propan-1-ol

Base Information

• Chemical Name: (R)-1-(3,4-Dichloro-phenyl)-3-dimethylamino-propan-1-ol
• CAS No.: 147641-96-1
• Molecular Formula: C₁₁H₁₅Cl₂NO
• Molecular Weight: 248.152
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID80447338
• Mol file: 147641-96-1.mol

Synonyms:147641-96-1;(R)-1-(3,4-Dichloro-phenyl)-3-dimethylamino-propan-1-ol;(R)-1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol;(1R)-1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol;DTXSID80447338;MXOPILVGQYKXRO-LLVKDONJSA-N;AKOS015916963;A13241;(r)-1-(3,4-dichlorophenyl)-3-dimethylaminopropan-1-ol

Chemical Property of (R)-1-(3,4-Dichloro-phenyl)-3-dimethylamino-propan-1-ol

Chemical Property:

• Vapor Pressure: 1.87E-05mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 348.6°Cat760mmHg
• PKA: 13.55±0.20(Predicted)
• Flash Point: 164.6°C
• PSA: 23.47000
• Density: 1.233g/cm³
• LogP: 2.97850
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 247.0530695
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

(R)-1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(C1=CC(=C(C=C1)Cl)Cl)O
• Isomeric SMILES: CN(C)CC[C@H](C1=CC(=C(C=C1)Cl)Cl)O

Technology Process of (R)-1-(3,4-Dichloro-phenyl)-3-dimethylamino-propan-1-ol

There total 5 articles about (R)-1-(3,4-Dichloro-phenyl)-3-dimethylamino-propan-1-ol 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: 93.6%

→ 3-(dimethylamino)-1-(3,4-dichlorobenzene)-1-propanol (1225932-01-3,161229-01-2,147641-96-1)

Guidance literature:

With methanol; sodium tetrahydroborate; at 20 ℃; for 3h;

Reference yield:

1-(3,4-dichlorophenyl)-3-(dimethylamino)-1-propanone (50516-63-7) → 3-(dimethylamino)-1-(3,4-dichlorobenzene)-1-propanol (1225932-01-3,161229-01-2,147641-96-1)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1016/j.bmcl.2010.07.021

Reference yield:

1-(3,4-dichlorophenyl)-3-(dimethylamino)-1-propanone (50516-63-7) → (R)-1-(3,4-Dichloro-phenyl)-3-dimethylamino-propan-1-ol (161229-01-2,147641-96-1) + (S)-1-(3,4-Dichloro-phenyl)-3-dimethylamino-propan-1-ol (161229-01-2,147641-96-1)

Guidance literature:

With dimethylsulfide borane complex; oxazaborolidine (2a); In tetrahydrofuran; at 20 - 25 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/0040-4039(93)89012-F

upstream raw materials:

1-(3,4-dichlorophenyl)-3-(dimethylamino)-1-propanone

3',4'-dichloroacetophenone

Downstream raw materials:

[3-(3,4-dichloro-phenyl)-3-tetrazol-2-yl-propyl]-methyl-amine

(S)-[3-(3,4-dichloro-phenyl)-3-tetrazol-2-yl-propyl]-methyl-amine

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(pyrrolidin-1-yl)propan-1-amine hydrochloride

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(piperazin-1-yl)propan-1-amine hydrochloride