3-Methyloxazinane-6-carboxylic acid

Base Information

• Chemical Name: 3-Methyloxazinane-6-carboxylic acid
• CAS No.: 89531-59-9
• Molecular Formula: C₆H₁₁NO₃
• Molecular Weight: 145.158
• NSC Number: 173129
• DSSTox Substance ID: DTXSID10305997
• Mol file: 89531-59-9.mol

Synonyms:89531-59-9;3-methyloxazinane-6-carboxylic acid;NSC173129;DTXSID10305997;NSC-173129

Chemical Property of 3-Methyloxazinane-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00425mmHg at 25°C
• Boiling Point: 258.1°Cat760mmHg
• Flash Point: 109.9°C
• Density: 1.154g/cm³
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(ON1)C(=O)O

Technology Process of 3-Methyloxazinane-6-carboxylic acid

There total 3 articles about 3-Methyloxazinane-6-carboxylic acid 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:

(2E,4E)-methylhexa-2,4-dienoate (689-89-4) → cis-3-Methyl-6-carboxy-tetrahydro-1.2-oxazin (89531-59-9)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether; ethanol / 336 h / 0 °C

2: aq. NaHCO₃

3: H₂, MeOH / Pd/C

With methanol; hydrogen; sodium hydrogencarbonate; palladium on activated charcoal; In diethyl ether; ethanol;

DOI:10.1021/ja00884a013

Reference yield:

2-benzoyl-3c-methyl-3,6-dihydro-2H-[1,2]oxazine-6r-carboxylic acid methyl ester (92249-11-1) → cis-3-Methyl-6-carboxy-tetrahydro-1.2-oxazin (89531-59-9)

Guidance literature:

With methanol; hydrogen; palladium on activated charcoal;

DOI:10.1021/ja00884a013

Reference yield:

3,6-dihydro-6-methoxycarbonyl-3-methyl-2H-1,2-oxazine (412338-32-0) → cis-3-Methyl-6-carboxy-tetrahydro-1.2-oxazin (89531-59-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaHCO₃

2: H₂, MeOH / Pd/C

With methanol; hydrogen; sodium hydrogencarbonate; palladium on activated charcoal;

DOI:10.1021/ja00884a013

upstream raw materials:

2-benzoyl-3c-methyl-3,6-dihydro-2H-[1,2]oxazine-6r-carboxylic acid methyl ester

(2E,4E)-methylhexa-2,4-dienoate

3,6-dihydro-6-methoxycarbonyl-3-methyl-2H-1,2-oxazine