N,N-Dimethylhexanamide

Base Information

• Chemical Name: N,N-Dimethylhexanamide
• CAS No.: 5830-30-8
• Molecular Formula: C8H17 N O
• Molecular Weight: 143.229
• Hs Code.: 2924199090
• European Community (EC) Number: 227-406-2
• DSSTox Substance ID: DTXSID8064016
• Nikkaji Number: J49.385F
• Wikidata: Q81991174
• Mol file: 5830-30-8.mol

Synonyms:N,N-Dimethylhexanamide;5830-30-8;HEXANAMIDE, N,N-DIMETHYL-;N,N-Dimethylcaproamide;N,N-Dimethylhexanoamide;EINECS 227-406-2;BRN 1747074;AI3-36607;3-04-00-00127 (Beilstein Handbook Reference);NN-Dimethylhexanamide;NN-Dimethylcaproamide;N,N-dirnethylhexanamide;N,N-dimethyl-hexanamide;N,N-dimethylhexanoicamide;SCHEMBL630064;DTXSID8064016;MFCD00043671;AKOS006229173;AS-57840;LS-74962;CS-0152334;FT-0629546

Chemical Property of N,N-Dimethylhexanamide

Chemical Property:

• Vapor Pressure: 0.227mmHg at 25°C
• Refractive Index: 1.4490
• Boiling Point: 207.3°Cat760mmHg
• PKA: -0.35±0.70(Predicted)
• Flash Point: 78.2°C
• PSA: 20.31000
• Density: 0.868g/cm³
• LogP: 1.65490
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Not miscible or difficult to mix.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 143.131014166
• Heavy Atom Count: 10
• Complexity: 99.4

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dimethylhexanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: R22:Harmful if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)N(C)C
• Uses: N,N-Dimethylhexanamide is used as a pharmaceutical intermediate.

Technology Process of N,N-Dimethylhexanamide

There total 14 articles about N,N-Dimethylhexanamide 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%

dimethylamine borane (74-94-2) + hexanoic acid (142-62-1) → N,N-dimethylhexanamide (5830-30-8)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 12h; Reflux;

DOI:10.1021/acs.orglett.0c03184

Reference yield: 92.0%

tris(dimethylamino)diiodophosphorane (82859-40-3) + hexanoic acid (142-62-1) → N,N-dimethylhexanamide (5830-30-8)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; In benzene; for 6h; Ambient temperature;

Reference yield: 91.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + butan-1-ol (71-36-3) → N,N-dimethylhexanamide (5830-30-8)

Guidance literature:

With C₁₉H₂₆ClIrNOP; potassium tert-butylate; In toluene; at 80 ℃; for 12h; Schlenk technique; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1016/j.tetlet.2016.05.074

upstream raw materials:

dimethyl amine

hexanoic acid

1-bromo-butane

N,N-dimethyl acetamide

Downstream raw materials:

methyl 2,6-dihydroxy-6-pentylbenzoate

(4-Benzyloxycarbonylamino-decyl)-carbamic acid benzyl ester

2-hexylpyrrole

N,N-dimethylhexylamine

Refernces

• 1、 Yi, Jaeeun,Kim, Hyun Tae,Jaladi, Ashok Kumar,An, Duk Keun. "Deoxygenative hydroboration of primary, secondary, and tertiary amides: Catalyst-free synthesis of various substituted amines". supporting information. p. 129 - 132. Retrieved 2021/11/17.
• 2、 Yao, Wubing,Ma, Xiaochen,Guo, Le,Jia, Xiangqing,Hu, Aiguo,Huang, Zheng. "A highly efficient catalytic α-alkylation of unactivated amides using primary alcohols". supporting information. p. 2919 - 2921. Retrieved 2016/06/13.