2-Butoxyaniline

Base Information

• Chemical Name: 2-Butoxyaniline
• CAS No.: 4469-81-2
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922199090
• European Community (EC) Number: 806-255-1
• NSC Number: 55075
• DSSTox Substance ID: DTXSID20196277
• Nikkaji Number: J580.395K
• Wikidata: Q83069338
• ChEMBL ID: CHEMBL1741956
• Mol file: 4469-81-2.mol

Synonyms:2-butoxyaniline;4469-81-2;2-Butoxy-phenylamine;Aniline, o-butoxy-;2-butoxyphenylamine;o-butoxyaniline;2-n-Butoxyaniline;2-butoxybenzenamine;NSC55075;Aniline, o-butoxy-,;(2-butoxy-phenyl)-amine;2-Butoxyaniline, AldrichCPR;MLS000525319;SCHEMBL112708;CHEMBL1741956;DTXSID20196277;HMS2359N08;MFCD00043880;NSC 55075;NSC-55075;STK728929;AKOS000104367;NCGC00245250-01;SMR000122193;BB 0216468;CS-0250691;EN300-51897;SR-01000523998;SR-01000523998-1;Z239604730

Chemical Property of 2-Butoxyaniline

Chemical Property:

• Vapor Pressure: 0.0086mmHg at 25°C
• Boiling Point: 266.5°C at 760 mmHg
• PKA: 4.49±0.10(Predicted)
• Flash Point: 114.2°C
• PSA: 35.25000
• Density: 0.999g/cm³
• LogP: 3.02890
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

98%min ^*data from raw suppliers

2-Butoxy-phenylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N,Xn
• Statements: 20/21/22-36/37/38-50/53
• Safety Statements: 26-36/37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=CC=C1N

Technology Process of 2-Butoxyaniline

There total 10 articles about 2-Butoxyaniline 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: 98.0%

n-butyl o-nitrophenyl ether (7252-51-9) → 2-butoxyaniline (4469-81-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 2h; under 2068.65 Torr;

DOI:10.1021/ol201657p

Reference yield: 68.0%

1-bromo-butane (109-65-9) + 2-amino-phenol (95-55-6) → 2-butoxyaniline (4469-81-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 24h;

DOI:10.3390/molecules20069767

Reference yield:

acetic acid-(2-butoxy-anilide) (532-09-2) → 2-butoxyaniline (4469-81-2)

Guidance literature:

With hydrogenchloride; In water; for 2h; Reflux;

DOI:10.3390/molecules23051064

upstream raw materials:

n-butyl o-nitrophenyl ether

(2-Butoxy-phenyl)-carbamic acid 2-morpholin-4-yl-ethyl ester

n-Butyl chloride

2-amino-phenol

Downstream raw materials:

chloro-acetic acid-(2-butoxy-anilide)

2-(2-Butoxy-phenylamino)-propionic acid methyl ester

2-n-Butyloxyphenylisocyanat

ethyl 1,6-dihydro-2-(2-butoxyanilino)-6-oxo-5-pyrimidinecarboxylate

Refernces

• 1、 Kapustikova, Iva,Bak, Andrzej,Gonec, Tomas,Kos, Jiri,Kozik, Violetta,Jampilek, Josef. "Investigation of hydro-lipophilic properties of n-alkoxyphenylhydroxynaphthalenecarboxamides ?". . . Retrieved 2018/07/10.
• 2、 Malík, Ivan,Csollei, Jozef,Solovi?, Ivan,Pospísilová, Sárka,Michnová, Hana,Jampílek, Josef,?ízek, Alois,Kapustíková, Iva,?urillová, Jana,Pechá?ová, Mária,Stola?íková, Ji?ina,Pecher, Daniel,Oravec, Michal. "Dibasic derivatives of phenylcarbamic acid against mycobacterial strains: Old drugs and new tricks?". supporting information. . Retrieved 2018/10/05.