4-Amino-6-fluoro-2-methylchroman-4-carboxylic acid

Base Information

• Chemical Name: 4-Amino-6-fluoro-2-methylchroman-4-carboxylic acid
• CAS No.: 103197-11-1
• Molecular Formula: C₁₁H₁₂FNO₃
• Molecular Weight: 225.22
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20550698
• Mol file: 103197-11-1.mol

Synonyms:103197-11-1;4-AMINO-6-FLUORO-2-METHYLCHROMAN-4-CARBOXYLIC ACID;4-amino-6-fluoro-2-methyl-2,3-dihydrochromene-4-carboxylic acid;4-amino-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid;(2R,4R)-4-Amino-6-fluoro-2-methylchroman-4-carboxylic acid;SCHEMBL2106476;DTXSID20550698

Chemical Property of 4-Amino-6-fluoro-2-methylchroman-4-carboxylic acid

Chemical Property:

• PSA: 72.55000
• LogP: 1.93560
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 225.08012141
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

97% ^*data from raw suppliers

4-AMINO-6-FLUORO-2-METHYLCHROMAN-4-CARBOXYLIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2=C(O1)C=CC(=C2)F)(C(=O)O)N

Technology Process of 4-Amino-6-fluoro-2-methylchroman-4-carboxylic acid

There total 12 articles about 4-Amino-6-fluoro-2-methylchroman-4-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: 95.0%

(4R)-2,3-dihydro-6-fluoro-2(R)-methyl-2'-phenylspiro[4H-benzopyran-4,4'-oxazolidin]-5'-one → 4(R)-amino-6-fluoro-2(R)-methylchroman-4-carboxylic acid (875312-64-4,103197-11-1)

Guidance literature:

With hydrogenchloride; formic acid; Heating;

DOI:10.1002/mrc.1697

Reference yield: 92.0%

(4R,S)-2,3-dihydro-6-fluoro-2(R)-methylspiro<4H-benzopyran-4,4'-2'-phenyloxazolidin>-5'-one (1134785-09-3) → 4(RS)-amino-6-fluoro-2(R)-methylchroman-4-carboxylic acid (1134785-12-8,103197-11-1)

Guidance literature:

(4R,S)-2,3-dihydro-6-fluoro-2(R)-methylspiro<4H-benzopyran-4,4'-2'-phenyloxazolidin>-5'-one; With hydrogenchloride; formic acid; In water; for 12h; Reflux;

With sodium hydroxide; In water; pH=5;

Reference yield: 52.0%

N-((R)-2-methyl-(S)-4-cyano-6-fluoro-3,4-dihydro-2H-l-benzpyran-4-yl)-P,P-diphenyl-phosphinic acid-1-benzopyran (1134785-11-7) → 4(S)-amino-6-fluoro-2(R)-methylchroman-4-carboxylic acid (103197-11-1)

Guidance literature:

With hydrogenchloride; In water; at 90 ℃; for 10h;

upstream raw materials:

(4R,S)-2,3-dihydro-6-fluoro-2(R)-methylspiro<4H-benzopyran-4,4'-2'-phenyloxazolidin>-5'-one

4-Fluorophenol

(R)-2-(4-fluorophenoxy)propanol

(R)-ethyl 2-(4-fluorophenoxy)propionate

Downstream raw materials:

(2R,4S)-6-fluoro-2-methylspiro[chroman-4,4’-imidazolidine]-2’,5’-dione