N,N-Dimethylbutyramide

Base Information

• Chemical Name: N,N-Dimethylbutyramide
• CAS No.: 760-79-2
• Molecular Formula: C6H13 N O
• Molecular Weight: 115.175
• Hs Code.: 2924199090
• NSC Number: 54115
• DSSTox Substance ID: DTXSID5061081
• Nikkaji Number: J42.758F
• Wikidata: Q72469573
• Mol file: 760-79-2.mol

Synonyms:N,N-Dimethylbutyramide;760-79-2;N,N-Dimethylbutanamide;Butanamide, N,N-dimethyl-;N,N-Dimethyl-n-butyramide;BUTYRAMIDE, N,N-DIMETHYL-;N,N-Dimethylbutyramide, Pract.;NSC 54115;BRN 1742172;AI3-36713;NN-Dimethylbutyramide;Butanamide,N,N-dimethyl-;NSC54115;Butanamide,N-dimethyl-;N,N-dimethylbutanoicamide;SCHEMBL139743;DTXSID5061081;WLN: 3VN1&1;MFCD00015222;NSC-54115;AKOS006229748;AS-59073;LS-47642;CS-0322484;FT-0629525;C13351

Chemical Property of N,N-Dimethylbutyramide

Chemical Property:

• Vapor Pressure: 0.661mmHg at 25°C
• Melting Point: -40℃
• Refractive Index: 1.4425
• Boiling Point: 80-82°C 15mm
• PKA: -0.41±0.70(Predicted)
• Flash Point: 80-82°C/15mm
• PSA: 20.31000
• Density: 0.872g/cm3
• LogP: 0.87470
• Water Solubility.: Very Soluble in water (110 g/L) (25°C).
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 78.6

Purity/Quality:

99%, ^*data from raw suppliers

N,N-Dimethylbutyramide Pract. ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)N(C)C
• Uses: N,N-Dimethylbutyramide, is used as an organic intermediate, pharmaceutical intermediate.

Technology Process of N,N-Dimethylbutyramide

There total 12 articles about N,N-Dimethylbutyramide 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: 99.0%

→ N,N-dimethylbutyramide (760-79-2) + 6-(cyclopentylacetamido)indole (104437-52-7)

Guidance literature:

Reference yield: 98.0%

dimethyl amine (124-40-3) + butyryl chloride (141-75-3) → N,N-dimethylbutyramide (760-79-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jacs.6b04061

Reference yield: 85.0%

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N,N-dimethylbutyramide (760-79-2)

Guidance literature:

With 1H-imidazole; palladium(II) acetylacetonate; methanesulfonic acid; 1,2-bis[di(t-butyl)phosphinomethyl]benzene; at 140 ℃; for 24h; regioselective reaction; Autoclave; Inert atmosphere;

DOI:10.1002/cctc.201500824

upstream raw materials:

dimethyl amine

butyryl chloride

butyric acid

sodium butyrate

Downstream raw materials:

2-Pentanone

n-hexan-3-one

N,N-dimethylbutylamine

methane

Refernces

• 1、 Yamashita, Yasuhiro,Noguchi, Aika,Fushimi, Seiya,Hatanaka, Miho,Kobayashi, Shū. "Chiral Metal Salts as Ligands for Catalytic Asymmetric Mannich Reactions with Simple Amides". supporting information. p. 5598 - 5604. Retrieved 2021/05/06.
• 2、 Clement, Helen A.,Boghi, Michele,McDonald, Rory M.,Bernier, Louise,Coe, Jotham W.,Farrell, William,Helal, Christopher J.,Reese, Matthew R.,Sach, Neal W.,Lee, Jack C.,Hall, Dennis G.. "High-Throughput Ligand Screening Enables the Enantioselective Conjugate Borylation of Cyclobutenones to Access Synthetically Versatile Tertiary Cyclobutylboronates". supporting information. p. 18405 - 18409. Retrieved 2019/11/16.