2H-chromene-3-carboxamide

Base Information

• Chemical Name: 2H-chromene-3-carboxamide
• CAS No.: 10185-00-9
• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 175.187
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID80144274
• Nikkaji Number: J132.077G
• Mol file: 10185-00-9.mol

Synonyms:Compound 69-20;delta(3)-chromene-3-carboxamide

Chemical Property of 2H-chromene-3-carboxamide

Chemical Property:

• Vapor Pressure: 4.76E-07mmHg at 25°C
• Melting Point: 149-151 °C
• Boiling Point: 413.5°Cat760mmHg
• PKA: 15.11±0.20(Predicted)
• Flash Point: 253°C
• PSA: 53.31000
• Density: 1.278g/cm³
• LogP: 2.09740
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

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

2H-Chromene-3-carboxamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)N

Technology Process of 2H-chromene-3-carboxamide

There total 2 articles about 2H-chromene-3-carboxamide 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: 16.0%

salicylaldehyde (90-02-8) + acrylonitrile (107-13-1,25014-41-9) → Chromene-3-carboxamide (10185-00-9)

Guidance literature:

With sodium hydroxide;

Reference yield:

→ Chromene-3-carboxamide (10185-00-9)

Guidance literature:

2H-Chromen-3-carbonsaeure, 1) SOCl2 2) NH4OH;

Reference yield:

Chromene-3-carboxamide (10185-00-9) → 1-Chroman-3-ylmethyl-4-(2-methoxy-phenyl)-piperazine; hydrochloride (83823-46-5)

Guidance literature:

Multi-step reaction with 5 steps

1: 94.7 percent / 10percent NaOH / 5 h / Heating

2: SOCl₂ / benzene / 3 h / Heating

3: Et₃N / benzene

4: LiAlH₄ / diethyl ether / Heating

5: 1) H₂ 2) HCl / 1) 10percent Pd/C / ethanol / Ambient temperature

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; thionyl chloride; hydrogen; triethylamine; palladium on activated charcoal; In diethyl ether; ethanol; benzene;

upstream raw materials:

salicylaldehyde

acrylonitrile

Downstream raw materials:

chlorure d'acide chromene carboxylique-3

2H-Chromene-3-carboxylic acid butylamide

2H-Chromene-3-carboxylic acid diethylamide

(2H-Chromen-3-yl)-(2-imino-2H-pyridin-1-yl)-methanone

Refernces