Propiolamide

Base Information

• Chemical Name: Propiolamide
• CAS No.: 7341-96-0
• Molecular Formula: C3H3NO
• Molecular Weight: 69.0629
• European Community (EC) Number: 694-582-9
• NSC Number: 520954
• UNII: KW3KN5TM5F
• DSSTox Substance ID: DTXSID50223641
• Nikkaji Number: J471.575F
• Wikidata: Q27122735
• Metabolomics Workbench ID: 57861
• Mol file: 7341-96-0.mol

Synonyms:Propiolamide;7341-96-0;prop-2-ynamide;2-Propynamide;Propynamide;PROPYNOIC ACID AMIDE;propiolic acid amide;KW3KN5TM5F;MFCD04035573;NSC-520954;propargylamide;HC.equiv.CCONH2;NSC520954;Propiolamide, 97%;PROPYNOICACIDAMIDE;UNII-KW3KN5TM5F;HC.$.CCONH2;CHEBI:51764;propynoic acid amide, AldrichCPR;DTXSID50223641;BCP15743;AKOS006237140;MB03070;NSC 520954;BL007595;SY060790;AM20100705;CS-0022393;FT-0600128;FT-0674068;EN300-61937;A16095;A21104;J-524058;Q27122735

Chemical Property of Propiolamide

Chemical Property:

• Appearance/Colour: Waxy Yellow Solid
• Vapor Pressure: 8.03mmHg at 25°C
• Melting Point: 61-62°C
• Refractive Index: 1.465
• Boiling Point: 134.6 °C at 760 mmHg
• PKA: 13.48±0.50(Predicted)
• Flash Point: 35.2 °C
• PSA: 43.09000
• Density: 1.102 g/cm³
• LogP: -0.19480
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO, Methanol
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 69.021463719
• Heavy Atom Count: 5
• Complexity: 86.3

Purity/Quality:

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

Propiolamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC(=O)N
• Uses: Propiolamide (cas# 7341-96-0) is a compound useful in organic synthesis.

Technology Process of Propiolamide

There total 7 articles about Propiolamide 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%

propynoic acid methyl ester (922-67-8) → 2-propynamide (7341-96-0)

Guidance literature:

With ammonia; In water; for 0.166667h; Cooling with isopropanol-dry ice;

DOI:10.1016/j.bmc.2008.10.057

Reference yield: 100.0%

propynoic acid ethyl ester (623-47-2) → 2-propynamide (7341-96-0)

Guidance literature:

With ammonia; at -78 - 20 ℃; for 5h;

Reference yield: 82.0%

3-(trimethylsilyl)prop-2-ynamide → 2-propynamide (7341-96-0)

Guidance literature:

With KF-Al₂O₃ (5 mol percent); In methanol; at 25 ℃; for 0.333333h;

DOI:10.1134/S1070428011120037

upstream raw materials:

propiolic acid anhydride

propynoic acid methyl ester

propynoic acid ethyl ester

propiolonitrile

Downstream raw materials:

Hexen-1^trans-diin-3,5-dicarbonsaeure-1,6-monoamid-6

cis-3-Thiocyano-acrylamid

trans-3-Thiocyano-acrylamid

3-aminoisoxazole

Refernces

• 1、 Nador, Fabiana,Mancebo-Aracil, Juan,Zanotto, Duham,Ruiz-Molina, Daniel,Radivoy, Gabriel. "Thiol-yne click reaction: an interesting way to derive thiol-provided catechols". . p. 2074 - 2082. Retrieved 2021/01/29.
• 2、 Zhang, Ping,Weeranoppanant, Nopphon,Thomas, Dale A.,Tahara, Kohei,Stelzer, Torsten,Russell, Mary Grace,O'Mahony, Marcus,Myerson, Allan S.,Lin, Hongkun,Kelly, Liam P.,Jensen, Klavs F.,Jamison, Timothy F.,Dai, Chunhui,Cui, Yuqing,Briggs, Naomi,Beingessner, Rachel L.,Adamo, Andrea. "Advanced Continuous Flow Platform for On-Demand Pharmaceutical Manufacturing". . p. 2776 - 2784. Retrieved 2018/02/06.