6-Fluoro-3,4-Dihydro-2H-1-Benzopyran-2-CarboxylicAcid

Base Information

• Chemical Name: 6-Fluoro-3,4-Dihydro-2H-1-Benzopyran-2-CarboxylicAcid
• CAS No.: 99199-61-8
• Molecular Formula: C₁₂H₁₃FO₃
• Molecular Weight: 224.232
• Mol file: 99199-61-8.mol

Synonyms:rac-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic Acid Ethyl Ester;Ethyl 6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate;

Chemical Property of 6-Fluoro-3,4-Dihydro-2H-1-Benzopyran-2-CarboxylicAcid

Chemical Property:

• PSA: 46.53000
• LogP: 1.60390
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Ethyl Acetate

Purity/Quality:

95% ^*data from raw suppliers

rac-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-Fluoro-3,4-Dihydro-2H-1-Benzopyran-2-CarboxylicAcid

There total 2 articles about 6-Fluoro-3,4-Dihydro-2H-1-Benzopyran-2-CarboxylicAcid 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:

6-fluoro-3,4-dihydro-2H-benzopyran-2-carboxylic acid ethyl ester (99199-61-8) → (R)-6-fluorochroman-2-carboxylic acid (129101-37-7,129050-20-0) + (S)-ethyl 6-fluorochroman-2-carboxylate (1335103-90-6,99199-61-8)

Guidance literature:

6-fluoro-3,4-dihydro-2H-benzopyran-2-carboxylic acid ethyl ester; With sodium hydrogencarbonate; sodium hydroxide; esterase enzyme from Ophiostoma novo-ulmi; In water; pH=9.7; Enzymatic reaction;

With hydrogenchloride; In water; pH=1;

Reference yield:

6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid (99199-60-7,129050-20-0) → 6-fluoro-3,4-dihydro-2H-benzopyran-2-carboxylic acid ethyl ester (99199-61-8)

Guidance literature:

With sulfuric acid; In ethanol; dichloromethane;

Reference yield:

C12H13FO3 (99199-61-8) → 2-{benzyl-[2-(6-fluoro-chroman-2-yl)-2-hydroxy-ethyl]-amino}-1-(6-fluoro-chroman-2-yl)-ethanol (1199945-26-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: tert-butylmagnesium chloride / tetrahydrofuran; tert-butyl methyl ether / 0 °C / Inert atmosphere; Large scale

1.2: -5 - 20 °C / pH 1 - 3 / Large scale

2.1: (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; borane N,N-diethylaniline complex / cyclohexane / Inert atmosphere

3.1: sodium hydroxide / water; acetone / 0 - 20 °C

4.1: 60 - 95 °C

5.1: cyclohexane; ethanol; ethyl acetate / 80 - 90 °C

With borane N,N-diethylaniline complex; tert-butylmagnesium chloride; sodium hydroxide; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; ethanol; tert-butyl methyl ether; cyclohexane; water; ethyl acetate; acetone;

upstream raw materials:

6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

Downstream raw materials:

2-{benzyl-[2-(6-fluoro-chroman-2-yl)-2-hydroxy-ethyl]-amino}-1-(6-fluoro-chroman-2-yl)-ethanol

(SRRR)-d-N-benzilnebivolol

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