2-sec-Butylaniline

Base Information

• Chemical Name: 2-sec-Butylaniline
• CAS No.: 55751-54-7
• Molecular Formula: C10H15 N
• Molecular Weight: 149.236
• Hs Code.: 2921420090
• European Community (EC) Number: 259-794-4
• DSSTox Substance ID: DTXSID10866497
• Nikkaji Number: J296.489I
• Mol file: 55751-54-7.mol

Synonyms:2-(Sec-butyl)aniline;2-sec-Butylaniline;55751-54-7;2-butan-2-ylaniline;Benzenamine, 2-(1-methylpropyl)-;Aniline, o-sec-butyl-;EINECS 259-794-4;2-sec-butylbenzenamine;2-(butan-2-yl)aniline;2-s-butylaniline;o-sec-Butylaniline;2-amino sec-butylbenzene;(-)-2-sec-butylaniline;2-(1-Methylpropyl)aniline;SCHEMBL111291;2-(1-Methylpropyl)benzenamine;DTXSID10866497;MFCD00040573;AKOS000294656;AKOS016357628;AM83257;DS-2859;CS-0204737;FT-0613408;FT-0653586;FT-0658917;A856528;45898-14-4

Chemical Property of 2-sec-Butylaniline

Chemical Property:

• Vapor Pressure: 0.0412mmHg at 25°C
• Melting Point: 1.08°C (estimate)
• Refractive Index: n20/D 1.541(lit.)
• Boiling Point: 239°Cat760mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 101.5°C
• PSA: 26.02000
• Density: 0.942g/cm³
• LogP: 3.36350
• Storage Temp.: Store below +30°C.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 111

Purity/Quality:

97% ^*data from raw suppliers

2-sec-Butylaniline for synthesis. CAS No. 55751-54-7, EC Number 259-794-4., for synthesis ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1=CC=CC=C1N

Technology Process of 2-sec-Butylaniline

There total 8 articles about 2-sec-Butylaniline 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: 91.0%

(2R,3R,4S)-3,4-Dimethyl-2-p-tolyl-3H,4H-2λ4-benzo[c][1,2]thiazine 2-oxide → 2-sec-butylaniline (55751-54-7,196805-87-5)

Guidance literature:

With disodium hydrogenphosphate; sodium amalgam; In tetrahydrofuran; methanol; for 6h; Ambient temperature;

DOI:10.1055/s-1994-25421

Reference yield: 27.1%

(-)-(S)-2-(1'-methylallyl)aniline (77184-24-8) → (-)-(2S,3R)-trans-2,3-dimethylindoline (77210-46-9) + cis und trans-2-(2'-Methylcyclopropyl)anilin (38767-03-2) + 2-sec-butylaniline (55751-54-7,196805-87-5) + (1'RS,2'SR)-2-(2'-methoxy-1'-methylpropyl)aniline

Guidance literature:

In methanol; for 0.5h; Further byproducts given; Irradiation;

DOI:10.1002/hlca.19800630710

Reference yield:

1-sec-butyl-2-nitro-benzene (19370-34-4) → 2-sec-butylaniline (55751-54-7,196805-87-5)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1021/ja01342a050

upstream raw materials:

C₆H₄NCH₂CHCCH₂

1-sec-butyl-2-nitro-benzene

1-butylene

aniline

Downstream raw materials:

phenyl-propyl-carbamonitrile

2-(but-2'-yl)-6-ethylaniline

2-sec-Butyl-6-isopropyl-phenylamine

C₁₇H₁₉N₃O₃