2-(tert-Butylamino)propiophenone Hydrochloride

Base Information

• Chemical Name: 2-(tert-Butylamino)propiophenone Hydrochloride
• CAS No.: 63199-74-6
• Molecular Formula: C13H20ClNO
• Molecular Weight: 241.757
• UNII: F4215L598Y
• DSSTox Substance ID: DTXSID40979206
• Wikidata: Q27277610
• Mol file: 63199-74-6.mol

Synonyms:2-(tert-Butylamino)propiophenone Hydrochloride;63199-74-6;Propiophenone, 2-(tert-butylamino)-, hydrochloride;Deschloro Bupropion Hydrochloride;2-(tert-butylamino)-1-phenylpropan-1-one;hydrochloride;UNII-F4215L598Y;1-Propanone, 2-((1,1-dimethylethyl)amino)-1-phenyl-, hydrochloride;F4215L598Y;2-((1,1-Dimethylethyl)amino)-1-phenyl-1-propanone hydrochloride;2-(tert-butylamino)-1-phenylpropan-1-one hydrochloride;SCHEMBL10618419;DTXSID40979206;2-(TERT-BUTYLAMINO)PROPIOPHENONE HYDROCHLORIDE;DESCHLORO BUPROPION;AKOS027323600;CS-O-07439;LS-122952;Q27277610;2-(tert-Butylamino)-1-phenylpropan-1-one--hydrogen chloride (1/1);1-PROPANONE, 2-((1,1-DIMETHYLETHYL)AMINO)-1-PHENYL-, HYDROCHLORIDE (1:1)

Chemical Property of 2-(tert-Butylamino)propiophenone Hydrochloride

Chemical Property:

• Vapor Pressure: 0.0016mmHg at 25°C
• Melting Point: >218oC (dec.)
• Boiling Point: 294.6°Cat760mmHg
• Flash Point: 102.5°C
• PSA: 29.10000
• Density: g/cm³
• LogP: 3.83880
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 241.1233420
• Heavy Atom Count: 16
• Complexity: 211

Purity/Quality:

99.90% ^*data from raw suppliers

DeschloroBupropionHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C1=CC=CC=C1)NC(C)(C)C.Cl
• Uses: A deschloro analogue of the selective dopamine uptake inhibior Bupropion (B689625) with antidepressant-like activity. A deschloro analogue of the selective dopamine uptake inhibior Bupropion (B689625) with antidepressant-like activity. Bupropion USP Related Compound D.

Technology Process of 2-(tert-Butylamino)propiophenone Hydrochloride

There total 2 articles about 2-(tert-Butylamino)propiophenone 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: 25.0%

2-chloro-1-phenylpropan-1-one (6084-17-9) + tert-butylamine (75-64-9) → 2-(N-tert-butylamino)propiophenone hydrochloride (63199-74-6)

Guidance literature:

2-chloro-1-phenylpropan-1-one; tert-butylamine; at 100 ℃; for 72h; Sealed tube;

With hydrogenchloride; In diethyl ether;

DOI:10.1021/acschemneuro.7b00055

Reference yield:

→ 2-(N-tert-butylamino)propiophenone hydrochloride (63199-74-6)

Guidance literature:

entspr. Bromketon, 1) entspr. Amin, 2) HCl;

upstream raw materials:

2-chloro-1-phenylpropan-1-one

tert-butylamine