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Methyl azepane-2-carboxylate

Base Information
  • Chemical Name:Methyl azepane-2-carboxylate
  • CAS No.:5228-33-1
  • Molecular Formula:C8H15NO2
  • Molecular Weight:157.213
  • Hs Code.:2933990090
  • DSSTox Substance ID:DTXSID00544631
  • Mol file:5228-33-1.mol
Methyl azepane-2-carboxylate

Synonyms:Methyl azepane-2-carboxylate;5228-33-1;azepane-2-carboxylic acid methyl ester;methylazepane-2-carboxylate;SCHEMBL1688457;DTXSID00544631;AKOS006307850;CS-0102396;EN300-150807;A871031;Q-103576

Suppliers and Price of Methyl azepane-2-carboxylate
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Crysdot
  • Methylazepane-2-carboxylate 95+%
  • 25g
  • $ 375.00
  • Chemenu
  • Methylazepane-2-carboxylate 95%
  • 25g
  • $ 354.00
  • American Custom Chemicals Corporation
  • METHYL AZEPANE-2-CARBOXYLATE 95.00%
  • 5MG
  • $ 497.64
  • Alichem
  • Methylazepane-2-carboxylate
  • 25g
  • $ 6134.00
  • Alichem
  • Methylazepane-2-carboxylate
  • 5g
  • $ 3714.00
Total 16 raw suppliers
Chemical Property of Methyl azepane-2-carboxylate
Chemical Property:
  • PSA:38.33000 
  • LogP:1.02040 
  • XLogP3:0.7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:2
  • Exact Mass:157.110278721
  • Heavy Atom Count:11
  • Complexity:136
Purity/Quality:

97% *data from raw suppliers

Methylazepane-2-carboxylate 95+% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:COC(=O)C1CCCCCN1
Technology Process of Methyl azepane-2-carboxylate

There total 9 articles about Methyl azepane-2-carboxylate 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:
Guidance literature:
methanol; (2R/S)-azepinecarboxylic acid; With thionyl chloride; at 0 - 20 ℃;
With sodium carbonate; In dichloromethane;
Guidance literature:
Multi-step reaction with 7 steps
1.1: hydroxylamine hydrochloride; pyridine / 0 - 20 °C
2.1: phosphorus pentoxide / water / 1 h / 130 - 140 °C
3.1: phosphorus pentachloride / dichloromethane; toluene / 2 h / Reflux
3.2: 16 h / pH 8 / Cooling with ice
4.1: hydrogen; sodium acetate / palladium 10% on activated carbon / acetic acid / 18 h / 20 °C
5.1: sodium hydroxide / 1,4-dioxane / 18 h / Reflux
5.2: 4 h / 20 °C
6.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C
7.1: thionyl chloride / 0 - 20 °C
With pyridine; thionyl chloride; phosphorus pentoxide; phosphorus pentachloride; hydroxylamine hydrochloride; hydrogen; sodium acetate; trifluoroacetic acid; sodium hydroxide; palladium 10% on activated carbon; In 1,4-dioxane; dichloromethane; water; acetic acid; toluene;
Guidance literature:
Multi-step reaction with 5 steps
1.1: phosphorus pentachloride / dichloromethane; toluene / 2 h / Reflux
1.2: 16 h / pH 8 / Cooling with ice
2.1: hydrogen; sodium acetate / palladium 10% on activated carbon / acetic acid / 18 h / 20 °C
3.1: sodium hydroxide / 1,4-dioxane / 18 h / Reflux
3.2: 4 h / 20 °C
4.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C
5.1: thionyl chloride / 0 - 20 °C
With thionyl chloride; phosphorus pentachloride; hydrogen; sodium acetate; trifluoroacetic acid; sodium hydroxide; palladium 10% on activated carbon; In 1,4-dioxane; dichloromethane; acetic acid; toluene;
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