1-Boc-3-(3,4-dichlorophenyl)piperazine

Base Information

• Chemical Name: 1-Boc-3-(3,4-dichlorophenyl)piperazine
• CAS No.: 185110-16-1
• Molecular Formula: C₁₅H₂₀Cl₂N₂O₂
• Molecular Weight: 331.242
• DSSTox Substance ID: DTXSID40390811
• Mol file: 185110-16-1.mol

Synonyms:1-Boc-3-(3,4-dichlorophenyl)piperazine;185110-16-1;Tert-butyl 3-(3,4-dichlorophenyl)piperazine-1-carboxylate;SCHEMBL6994594;DTXSID40390811;MFCD04038531;AKOS015911661;AB17113;AB46661;AB46665;1241681-54-8;AS-31116;SY021226;CS-0448951;FT-0653998;EN300-1880760;A812923;tert-butyl (3S)-3-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxylate;(R)-3-(3,4-DICHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;(S)-3-(3,4-DICHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;232270-54-1

Chemical Property of 1-Boc-3-(3,4-dichlorophenyl)piperazine

Chemical Property:

• Vapor Pressure: 2.77E-07mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 420.6°Cat760mmHg
• Flash Point: 208.2°C
• PSA: 41.57000
• Density: 1.232g/cm³
• LogP: 4.14150
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 330.0901833
• Heavy Atom Count: 21
• Complexity: 373

Purity/Quality:

97% ^*data from raw suppliers

1-Boc-3-(3,4-dichlorophenyl)piperazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCNC(C1)C2=CC(=C(C=C2)Cl)Cl

Technology Process of 1-Boc-3-(3,4-dichlorophenyl)piperazine

There total 4 articles about 1-Boc-3-(3,4-dichlorophenyl)piperazine 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:

methyl 2-(3,4-dichlorophenyl)acetate (6725-44-6) → 3-(3,4-dichloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (185110-16-1)

Guidance literature:

Multi-step reaction with 4 steps

1: NBS

2: LAH / diethyl ether

3: methanol / -78 °C

With N-Bromosuccinimide; lithium aluminium tetrahydride; In methanol; diethyl ether;

DOI:10.1016/S0960-894X(02)00645-5

Reference yield:

α-bromo-3,4-dichlorophenylacetic acid methyl ester (163339-71-7) → 3-(3,4-dichloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (185110-16-1)

Guidance literature:

Multi-step reaction with 3 steps

1: LAH / diethyl ether

2: methanol / -78 °C

With lithium aluminium tetrahydride; In methanol; diethyl ether;

DOI:10.1016/S0960-894X(02)00645-5

Reference yield:

3-(3,4-dichloro-phenyl)-piperazin-2-one (334477-10-0) → 3-(3,4-dichloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (185110-16-1)

Guidance literature:

Multi-step reaction with 2 steps

1: LAH / diethyl ether

2: methanol / -78 °C

With lithium aluminium tetrahydride; In methanol; diethyl ether;

DOI:10.1016/S0960-894X(02)00645-5

upstream raw materials:

di-tert-butyl dicarbonate

2-(3,4-dichlorophenyl)piperazine

methyl 2-(3,4-dichlorophenyl)acetate

α-bromo-3,4-dichlorophenylacetic acid methyl ester

Downstream raw materials:

2-(1-Benzyl-piperidin-4-ylamino)-1-[(R)-2-(3,4-dichloro-phenyl)-4-(3,5-dimethyl-benzoyl)-piperazin-1-yl]-ethanone

2-(1-Benzyl-piperidin-4-ylamino)-1-[(S)-2-(3,4-dichloro-phenyl)-4-(3,5-dimethyl-benzoyl)-piperazin-1-yl]-ethanone

(+/-)-4-[3,5-dimethylbenzoyl]-2-(3,4-dichlorophenyl)-1-[[[1-(phenylmethyl)-4-piperidinyl]amino]acetyl]piperazine