ChemicalBook > CAS DataBase List > (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid

(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid

Product Name: (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid
CAS No.: 129101-37-7
Chemical Name: (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid
Synonyms: Nebilolol Impurity 33;Nebivololo intermediate 3;6-Fluorochromane-2-carboxylic acid;R）6-Fluorochromane-2-carboxylic acid;(R)-6-FluorochroMan-2-carboxylic acid;(2R)-6-Fluorochroman-2-carboxylic acid;(2R)-6-fluorochromane-2-carboxylic acid;(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid;(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid;2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, (2R)-
CBNumber: CB7946903
Molecular Formula: C10H9FO3
Formula Weight: 196.18
MOL File: 129101-37-7.mol

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(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid Property

Boiling point:: 358.0±42.0 °C(Predicted)
Density: 1.364±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.05±0.20(Predicted)
form: solid
color: White
optical activity: Consistent with structure
InChI: InChI=1S/C10H9FO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)/t9-/m1/s1
InChIKey: ZNJANLXCXMVFFI-SECBINFHSA-N
SMILES: [C@@H]1(C(O)=O)OC2=CC=C(F)C=C2CC1

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Safety

HS Code: 2932990090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P330Rinse mouth.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: F590955
Product name: (2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid
Packaging: 100mg
Price: $55
Updated: 2021/12/16

TRC

Product number: F590955
Product name: (2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid
Packaging: 250mg
Price: $115
Updated: 2021/12/16

TRC

Product number: F590955
Product name: (2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid
Packaging: 500mg
Price: $185
Updated: 2021/12/16

Apolloscientific

Product number: PC201114
Product name: (R)-6-Fluorochroman-2-carboxylicacid
Purity: 95+%
Packaging: 250mg
Price: $111
Updated: 2021/12/16

SynQuest Laboratories

Product number: 2H21-3-R0
Product name: (R)-6-Fluorochroman-2-carboxylicacid
Purity: 95.0%
Packaging: 250mg
Price: $122
Updated: 2021/12/16

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(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid Chemical Properties,Usage,Production

Uses

(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid is a useful reagent for organic synthesis.

Synthesis

129050-25-5

129101-37-7

GENERAL STEPS: To a stirred mixed solution of nebivolol impurity 35 (2a-f) in tetrahydrofuran (THF, 2 mL) and methanol (MeOH, 1 mL) was added slowly and dropwise 0.25 M aqueous lithium hydroxide (LiOH) solution (1.05 equiv.) at room temperature with continuous stirring for 2 hours. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure and subsequently acidified with dilute hydrochloric acid (HCl). The crude product was extracted with ethyl acetate (EtOAc), the organic phases were combined and dried over anhydrous magnesium sulfate (MgSO4). After filtration, the solvent was evaporated under reduced pressure to give the crude product. Further purification by n-hexane crystallization gave the target products 6a-f. 4.2.22 Synthesis of (R)-6-fluorochroman-2-carboxylic acid (6a): compound 6a (89 mg) was obtained in 96% yield by treating 2a (100 mg, 0.47 mmol) as raw material in the above general steps according to the method described in section 4.2.21. 1H NMR (δ, ppm): 6.88-6.80 (m, 2H), 6.75 (dd, 3J = 8.7, 4JH-F = 2.6, 1H), 4.74 (dd, 1H, J = 7.6, 3.5), 2.90-2.75 (m, 2H), 2.33 (m, 1H), 2.18 (m, 1H). 13C NMR (δ, ppm): 175.8, 157.2 (d, 1JC-F = 237.9), 148.9 (d, 4JC-F = 2.1), 122.3 (d, 3JC-F = 7.5), 117.8 (d, 3JC-F = 8.1), 115.4 (d, 2JC-F = 22.7), 114.5 (d, 2JC- F = 23.2), 73.2, 24.1, 23.5 (d, 4JC-F = 1.1). Spin: [α]D20 = -12.6 (c 1.0, DMF) {literature value [α]D20 = -13.4 (c 1.0, DMF)}. Enantiomeric excess (ee) > 99% was determined using a Chiralcel ODH column with n-hexane/2-propanol/trifluoroacetic acid = 90:10:0.5 as the mobile phase at a flow rate of 1.0 mL/min and retention times tR = 6.92 min (S) and 9.62 min (R). High resolution mass spectrometry (HRMS) calculated value of C10H9FO3 [M]+: 196.0530, measured value: 196.0531.

References

[1] Tetrahedron Asymmetry, 2015, vol. 26, # 17, p. 912 - 917
[2] Patent: KR2017/37154, 2017, A. Location in patent: Paragraph 0291-0293

(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid manufacturers

ShenZhen H&D Pharmaceutical Technology Co., LTD

Product: Nebivolol Impurity 33 129101-37-7
Price: US $0.00/mg
Min. Order: 10mg
Purity: 0.98
Supply Ability: 10g
Release date: 2024-03-28

Career Henan Chemical Co

Product: (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid 129101-37-7
Price: US $7.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100kg
Release date: 2018-12-24

129101-37-7, (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid Related Search:

Tetrahydro-4H-pyran-4-one 3-(Trifluoromethyl)benzoic acid 2-(Trifluoromethyl)benzoic acid Benzoic acid Potassium hydrogen phthalate Fluorine Repaglinide 6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid

(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

Nebivololo intermediate 3

6-Fluorochromane-2-carboxylic acid

(R)-6-FluorochroMan-2-carboxylic acid

(2R)-6-Fluoro-2-[(2R)-oxiran-2-yl)-3,4-dihydro-2H – chromene (Isomer - B )

(2R)-6-fluorochromane-2-carboxylic acid

2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, (2R)-

(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

(2R)-6-Fluorochroman-2-carboxylic acid

R）6-Fluorochromane-2-carboxylic acid

Nebilolol Impurity 33

129101-37-7