1-Benzyl-3,3-difluoropyrrolidine hydrochloride

Base Information

• Chemical Name: 1-Benzyl-3,3-difluoropyrrolidine hydrochloride
• CAS No.: 862416-37-3
• Molecular Formula: C₁₁H₁₃F₂N*ClH
• Molecular Weight: 233.689
• DSSTox Substance ID: DTXSID20458004
• Mol file: 862416-37-3.mol

Synonyms:1-benzyl-3,3-difluoropyrrolidine hydrochloride;862416-37-3;1-BENZYL-3,3-DIFLUOROPYRROLIDINE HCL;1-benzyl-3,3-difluoropyrrolidine;hydrochloride;1-benzyl-3,3-difluoropyrrolidinehydrochloride;1-benzyl-3,3-difluoro-pyrrolidine Hydrochloride;DTXSID20458004;DMDXILXXSNPPKZ-UHFFFAOYSA-N;AMY14732;MFCD14706680;AKOS015919090;AS-66933;CS-0156299;FT-0657156;C76796

Chemical Property of 1-Benzyl-3,3-difluoropyrrolidine hydrochloride

Chemical Property:

• Vapor Pressure: 0.0679mmHg at 25°C
• Boiling Point: 229.9°C at 760 mmHg
• Flash Point: 92.8°C
• PSA: 3.24000
• LogP: 3.26750
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.0782835
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-3,3-difluoropyrrolidinehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC1(F)F)CC2=CC=CC=C2.Cl

Technology Process of 1-Benzyl-3,3-difluoropyrrolidine hydrochloride

There total 3 articles about 1-Benzyl-3,3-difluoropyrrolidine 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:

1-benzyl-3,3-difluoropyrrolidine-2,5-dione (862416-33-9) → 1-benzyl-3,3-difluoro-pyrrolidine; hydrochloride (862416-37-3)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; toluene; at 55 ℃; for 3h;

DOI:10.1021/jo050591h

Reference yield:

4-(benzylamino)-3,3-difluoro-4-oxobutanoic acid (862416-30-6) → 1-benzyl-3,3-difluoro-pyrrolidine; hydrochloride (862416-37-3)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / isopropyl acetate / 4 h / 50 - 55 °C

2: 64 g / BH₃*Me₂S / tetrahydrofuran; toluene / 3 h / 55 °C

With thionyl chloride; dimethylsulfide borane complex; In tetrahydrofuran; Isopropyl acetate; toluene;

DOI:10.1021/jo050591h

Reference yield:

benzylamine (100-46-9) → 1-benzyl-3,3-difluoro-pyrrolidine; hydrochloride (862416-37-3)

Guidance literature:

Multi-step reaction with 3 steps

1: isopropyl acetate / 1 h / 20 °C

2: SOCl₂ / isopropyl acetate / 4 h / 50 - 55 °C

3: 64 g / BH₃*Me₂S / tetrahydrofuran; toluene / 3 h / 55 °C

With thionyl chloride; dimethylsulfide borane complex; In tetrahydrofuran; Isopropyl acetate; toluene;

DOI:10.1021/jo050591h

upstream raw materials:

1-benzyl-3,3-difluoropyrrolidine-2,5-dione

4-(benzylamino)-3,3-difluoro-4-oxobutanoic acid

benzylamine

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