N-Isopropylacetamide

Base Information

• Chemical Name: N-Isopropylacetamide
• CAS No.: 1118-69-0
• Molecular Formula: C5H11 N O
• Molecular Weight: 101.148
• Hs Code.: 2924199090
• NSC Number: 44147
• DSSTox Substance ID: DTXSID30149739
• Nikkaji Number: J46.575E
• Wikidata: Q63398580
• Mol file: 1118-69-0.mol

Synonyms:N-Isopropylacetamide;1118-69-0;N-propan-2-ylacetamide;N-(1-Methylethyl)ethanamide;acetamide, N-(1-methylethyl)-;N-(propan-2-yl)acetamide;MFCD00085718;2-Acetamidopropane;NSC44147;n-isopropyl-acetamide;Acetamide, N-isopropyl;Acetamide, N-isopropyl-;Isopropylamine, N-acetyl-;2-Aminopropane, N-acetyl-;N-ISOPROPYL ACETAMIDE;SCHEMBL13692;SCHEMBL11996363;AMY3785;DTXSID30149739;BCP19527;CS-M3536;NSC 44147;NSC-44147;AKOS003726121;DS-18194;SY107538;FT-0699778;N12028;A894683;Q63398580

Chemical Property of N-Isopropylacetamide

Chemical Property:

• Vapor Pressure: 0.337mmHg at 25°C
• Boiling Point: 199.7°Cat760mmHg
• PKA: 16.31±0.46(Predicted)
• Flash Point: 100.5°C
• PSA: 29.10000
• Density: 0.861g/cm³
• LogP: 0.92180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 101.084063974
• Heavy Atom Count: 7
• Complexity: 68.5

Purity/Quality:

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

N-Isopropylacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)NC(=O)C

Technology Process of N-Isopropylacetamide

There total 53 articles about N-Isopropylacetamide 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%

acetic anhydride (108-24-7) + isopropylamine (75-31-0) → N-isopropylacetamide (1118-69-0)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Cooling with ice;

Reference yield: 99.0%

vinyl acetate (108-05-4,9003-20-7) + isopropylamine (75-31-0) → N-isopropylacetamide (1118-69-0)

Guidance literature:

With immobilization of Candida cylindracea lipase; In hexane; at 55 ℃; for 16h;

DOI:10.1016/j.procbio.2013.06.009

Reference yield: 98.0%

ethyl 2,4-dinitrophenylacetoacetate (124089-63-0) + isopropylamine (75-31-0) → N-isopropylacetamide (1118-69-0) + α-(2,4-dinitrophenyl)ethyl acetate (68084-17-3)

Guidance literature:

In chloroform; at 20 ℃; for 24h;

DOI:10.1021/jo0344642

upstream raw materials:

acetic anhydride

isopropylamine

acetyl chloride

3-methyl-2,5-dihydrothiophen-1,1-dioxide

Downstream raw materials:

N-isopropylethylamine

N-(4-bromo-2,6-difluorophenyl)-N'-isopropylacetamidine

N-isopropylcinnamamide

abemaciclib

Refernces

• 1、 Steffel, Lauren R.,Cashman, Timothy J.,Reutershan, Michael H.,Linton, Brian R.. "Deuterium exchange as an indicator of hydrogen bond donors and acceptors". . p. 12956 - 12957. Retrieved 2007.
• 2、 Trahanovsky,Cramer. "". . p. 1890. Retrieved 1971.
• 3、 Johnson,Crosby. "". . p. 2205. Retrieved 1962.
• 4、 Burnett,G.M.,Riches,K.M.. "-". . p. 1229 - 1234. Retrieved 1966.
• 5、 Lunazzi, Lodovico,Macciantelli, Dante,Grossi, Loris. "CONFORMATIONAL STUDIES BY DYNAMIC NMR-25 STEREOMUTATIONS IN TRIALKYLAMINES". . p. 305 - 308. Retrieved 1983.
• 6、 Bach,R.D. et al.. "-". . p. 1739 - 1740. Retrieved 1979.
• 7、 -. "A 2-aminopyrimidine heterocyclic compound and its applications". Paragraph 0086; 0094-0095. . Retrieved 2022/01/12.
• 8、 -. "A pyrimidine compound and its application". Paragraph 0084; 0091-0095. . Retrieved 2022/01/12.