[ CAS No. 65145-13-3 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 65145-13-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 65145-13-3 ]

SDS Specification

Alternatived Products of [ 65145-13-3 ]

Product Details of [ 65145-13-3 ]

CAS No. :	65145-13-3	MDL No. :	MFCD01310985
Formula :	C₇H₅FO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NXWTWYULZRDBSA-UHFFFAOYSA-N
M.W :	156.11	Pubchem ID :	2783398
Synonyms :

Safety of [ 65145-13-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 65145-13-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 65145-13-3 ]

[ 65145-13-3 ] Synthesis Path-Downstream 1~4

1
[ 65145-13-3 ]
[ 96740-92-0 ]

Yield	Reaction Conditions	Operation in experiment
	With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20℃; for 3h;Inert atmosphere;	Intermediate 16[113]Synthesis of 3-fluoro-4-(hydroxymethyl)phenol[114] [115]5 g of 2-fluoro-4-hydroxybenzoicacid was dissolved in 100 mL of THF with stirring in a 250 mL flask under anitrogen atmosphere. 2.43 g of LAH was added dropwise to the solution at 0 , and the mixture was stirred at room temperature for3 hours or more. The reaction material was washed with 200 mL of EA and 200 mLof 10% NaOH aqueous solution to remove LAH and extracted with 200 mL of EA. Theextract was dried with anhydrous magnesium sulfate, concentrated and thencrystallized using EA and diethyl ether, thereby obtaining the title compound.[116]1H NMR (400, CDCl3) : 7.26 (1H, t), 6.62(2H, m), 4.49 (1H, s), 4.68 (2H, d), 1.58 (3H, s).

Reference： [1]Tetrahedron Letters,1998,vol. 39,p. 7193 - 7196
[2]Patent: WO2013/105753,2013,A1 .Location in patent: Paragraph 112; 113; 114; 115; 116
[3]ChemMedChem,2013,vol. 8,p. 779 - 799

2
[ 37688-96-3 ]
[ 65145-13-3 ]
14-bromotetradecyl 2-fluoro-4-hydroxybenzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
20%	With sodium hydrogencarbonate; In acetonitrile; at 90℃; for 528h;Inert atmosphere;	General procedure: A Kimax tube was charged with an equimolar quantity of benzoic acid 33-37 (1.3mmol, 1 equiv.), sodium bicarbonate (1.3mmol, 1 equiv), and the dibromoalkane (1.3mmol, 1 equiv.) in anhydrous acetonitrile or DMF (10mL). The tube was flushed with argon, stopped, and the reaction mixture was stirred at 65C or 90C for the time indicated in each case. The solvent was evaporated under vacuum to give a crude solid residue. The different products were isolated by silica chromatography (5g SI prepacked column) using hexane/EtOAc (100/0→50/50) as eluent. The structure of the obtained isomer (i.e. the benzoate product and not the 4-alkyloxy-substituted benzoic acid isomer) was checked by 1H-13C HMBC and NOESY experiments.

Reference： [1]European Journal of Medicinal Chemistry,2018,vol. 150,p. 385 - 402

3
[ 65145-13-3 ]
[ 755037-03-7 ]

Reference： [1]Journal of Organic Chemistry,2019,vol. 84,p. 11323 - 11334

4
[ 67-56-1 ]
[ 65145-13-3 ]
[ 403-01-0 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; for 10h;Reflux;	Into a 100mL round-bottomed was added 4-hydroxyl-2-fluorobenzoic acid (1 g), methanol (10 mL), and concentrated sulfuric acid (98%, 0.1 mL). The mixture was heated to reflux for 10 hr. After the reaction finished, the mixture was poured into 100 mL ice water and filtration gave pure product A, R1 is fluoro, R2 is hydrogen, (lg) as white solid.

Reference： [1]Patent: EP2671581,2019,B1 .Location in patent: Paragraph 0219; 0228

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Isomers

Technical Information

• Acidity of Phenols • Alkyl Halide Occurrence • Arndt-Eistert Homologation • Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Chan-Lam Coupling Reaction • Electrophilic Substitution of the Phenol Aromatic Ring • Etherification Reaction of Phenolic Hydroxyl Group • Friedel-Crafts Reaction • Halogenation of Phenols • Hunsdiecker-Borodin Reaction • Hydrogenolysis of Benzyl Ether • Oxidation of Phenols • Passerini Reaction • Pechmann Coumarin Synthesis • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Reimer-Tiemann Reaction • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Ugi Reaction • Vilsmeier-Haack Reaction

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[ 65145-13-3 ]

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Ghs Precautionary Statements

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P342	If experiencing respiratory symptoms:
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P372	Explosion risk in case of fire.
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P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
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P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P401
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H200	Unstable explosive
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H240	Heating may cause an explosion
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H250	Catches fire spontaneously if exposed to air
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Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 65145-13-3 ] {[proInfo.proName]}

Quality Control of [ 65145-13-3 ]

Related Doc. of [ 65145-13-3 ]

Product Details of [ 65145-13-3 ]

Safety of [ 65145-13-3 ]

Application In Synthesis of [ 65145-13-3 ]

[ 65145-13-3 ] Synthesis Path-Downstream 1~4

Technical Information

Related Functional Groups of [ 65145-13-3 ]

Fluorinated Building Blocks

Aryls

Carboxylic Acids

Precautionary Statements-General

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Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 65145-13-3 ]