N-Dodecylaniline

Base Information

• Chemical Name: N-Dodecylaniline
• CAS No.: 3007-74-7
• Molecular Formula: C18H31 N
• Molecular Weight: 261.451
• Hs Code.: 2921420090
• European Community (EC) Number: 221-118-0
• UNII: 2Z19F16UMD
• DSSTox Substance ID: DTXSID1073311
• Nikkaji Number: J28.371A
• Wikidata: Q27255820
• Mol file: 3007-74-7.mol

Synonyms:N-Dodecylaniline;3007-74-7;N-N-Dodecylaniline;Benzenamine, N-dodecyl-;UNII-2Z19F16UMD;2Z19F16UMD;EINECS 221-118-0;dodecyl aniline;N-dodecylaminobenzene;n-Dodecyl-N-phenylamine;Dodecylamine, N-phenyl-;DODECYLANILINE, N-;n-Dodecyl-N-phenylamine #;SCHEMBL634068;DTXSID1073311;LQKYCMRSWKQVBQ-UHFFFAOYSA-;MFCD00026570;AKOS009157430;CS-0318176;D0987;D89754;1-(2,5-DIMETHOXYBENZYL)PIPERAZINEHYDROCHLORIDE;Q27255820

Chemical Property of N-Dodecylaniline

Chemical Property:

• Vapor Pressure: 9.14E-06mmHg at 25°C
• Melting Point: 25°C
• Boiling Point: 373.2°Cat760mmHg
• PKA: 5.05±0.50(Predicted)
• Flash Point: 181.3°C
• PSA: 12.03000
• Density: 0.9g/cm³
• LogP: 6.09240
• Solubility.: soluble in Benzene
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 261.245649993
• Heavy Atom Count: 19
• Complexity: 173

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Dodecylaniline ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCNC1=CC=CC=C1

Technology Process of N-Dodecylaniline

There total 27 articles about N-Dodecylaniline 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: 100.0%

nitrobenzene (98-95-3,26969-40-4) + undecyl cyanide (2437-25-4) → N-dodecylaniline (3007-74-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.1039/c1ob06303k

Reference yield: 99.0%

iodobenzene (591-50-4) + n-Dodecylamine (124-22-1) → N-dodecylaniline (3007-74-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 4h; Inert atmosphere;

DOI:10.1002/ejoc.201000149

Reference yield: 96.0%

N-phenyldodecanamide (3430-95-3) → N-dodecylaniline (3007-74-7)

Guidance literature:

With C₁₈H₃₂ClIrO₂P₂; tris(pentafluorophenyl)borate; hydrogen; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In toluene; at 120 ℃; for 24h; under 38002.6 Torr; chemoselective reaction;

DOI:10.1021/acscatal.6b01019

upstream raw materials:

N-dodecyl-toluene-4-sulfonanilide

1-dodecylbromide

aniline

1-dodecyl alcohol

Downstream raw materials:

N-dodecyl-toluene-4-sulfonanilide

4-dodecylaniline

4,N-didodecyl-aniline

aniline

Refernces

• 1、 Jiang, Yong,Hu, Miao,Sun, Nan,Hu, Baoxiang,Shen, Zhenlu,Hu, Xinquan,Jin, Liqun. "Bidentate geometry-constrained iminopyridyl nickel-catalyzed synthesis of amines or imines via borrowing hydrogen or dehydrogenative condensation". supporting information. . Retrieved 2020/11/27.
• 2、 Wu, Yajuan,Huang, Yongji,Dai, Xingchao,Shi, Feng. "Alcohol Amination Catalyzed by Copper Powder as a Self-Supported Catalyst". . p. 3185 - 3191. Retrieved 2018/11/30.