1-Phenyl-2-amino-3,3-dimethylbutane

Base Information

• Chemical Name: 1-Phenyl-2-amino-3,3-dimethylbutane
• CAS No.: 67309-37-9
• Molecular Formula: C12H19N
• Molecular Weight: 177.29
• European Community (EC) Number: 849-788-5
• DSSTox Substance ID: DTXSID90874358
• Nikkaji Number: J620.628J
• Wikidata: Q82855544

Synonyms:3,3-dimethyl-1-phenylbutan-2-amine;67309-37-9;1-Phenyl-2-amino-3,3-dimethylbutane;(Trimethylamphetamin);alpha-tert-Butylphenethylamine;SCHEMBL3843513;DTXSID90874358;A-T-BUTYL BENZENEETHANEAMINE;EN300-83241

Chemical Property of 1-Phenyl-2-amino-3,3-dimethylbutane

Chemical Property:

• PSA: 26.02000
• LogP: 3.30280
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 177.151749610
• Heavy Atom Count: 13
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

3,3-dimethyl-1-phenylbutan-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(CC1=CC=CC=C1)N

Technology Process of 1-Phenyl-2-amino-3,3-dimethylbutane

There total 8 articles about 1-Phenyl-2-amino-3,3-dimethylbutane 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: 61.0%

N-(2,2-dimethylpropylidene)-N-(1,1,1-trimethylsilyl)amine (61860-99-9) + benzyl bromide (100-39-0) → α-tert-butylphenylethylamine (67309-37-9)

Guidance literature:

With lithium; In diethyl ether; Heating; sonication;

DOI:10.1021/jo971061r

Reference yield:

pivalaldehyde (630-19-3) → α-tert-butylphenylethylamine (67309-37-9)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 0.5 h / 0 °C

2: 61 percent / lithium / diethyl ether / Heating; sonication

With lithium; In diethyl ether; 1: Condensation / 2: Barbier reaction;

DOI:10.1021/jo971061r

Reference yield:

1-(benzotriazol-1-yl)-1-chloro-2,2-dimethylpropane (111098-60-3) → α-tert-butylphenylethylamine (67309-37-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 80 percent / sodium azide / dimethylsulfoxide / 72 h / 25 °C

2: 100 percent / diethyl ether / 3 h / Ambient temperature

3: 1.) PPh₃ / 1.) Et₂), RT, 4 h, 2.) Et₂O, RT, overnight

4: 1.) aq. KOH, 2.) 10percent aq. HCl / 1.) EtOH, RT, 1 h, 2.) EtOH, reflux, 2 h

With hydrogenchloride; potassium hydroxide; sodium azide; triphenylphosphine; In diethyl ether; dimethyl sulfoxide;

DOI:10.1080/00397919408010616

upstream raw materials:

tert-butyl isocyanide

benzylmagnesium chloride

C₃₀H₃₂NP

N-(2,2-dimethylpropylidene)-N-(1,1,1-trimethylsilyl)amine

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