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Quality Control of [ 886499-74-7 ] Purity: 98% SDS Specification

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Product Details of [ 886499-74-7 ]

CAS No. :	886499-74-7
Formula :	C₁₀H₉F₃O₃
M.W :	234.17
SMILES Code :	O=C(O)CCC1=CC=C(OC(F)(F)F)C=C1
English Name :	3-(4-(Trifluoromethoxy)phenyl)propanoic acid
MDL No. :	MFCD01076409
InChI Key :	RRPISZJLUXOOCL-UHFFFAOYSA-N
Pubchem ID :	10513835

Safety of [ 886499-74-7 ]

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Application In Synthesis of [ 886499-74-7 ]

* 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 [ 886499-74-7 ]

[ 886499-74-7 ] Synthesis Path-Downstream 1~10

1
[ 1412452-63-1 ]
[ 886499-74-7 ]
[ 1412452-70-0 ]

Yield	Reaction Conditions	Operation in experiment
56%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 18h; Inert atmosphere;

References: [1]Piotrowski, David W.; Futatsugi, Kentaro; Warmus, Joseph S.; Orr, Suvi T. M.; Freeman-Cook, Kevin D.; Londregan, Allyn T.; Wei, Liuqing; Jennings, Sandra M.; Herr, Michael; Coffey, Steven B.; Jiao, Wenhua; Storer, Gregory; Hepworth, David; Wang, Jian; Lavergne, Sophie Y.; Chin, Janice E.; Hadcock, John R.; Brenner, Martin B.; Wolford, Angela C.; Janssen, Ann M.; Roush, Nicole S.; Buxton, Joanne; Hinchey, Terri; Kalgutkar, Amit S.; Sharma, Raman; Flynn, Declan A. [ACS Medicinal Chemistry Letters, 2013, vol. 4, # 1, p. 63 - 68].

2
[ 1628758-39-3 ]
[ 886499-74-7 ]
[ 1628758-27-9 ]

Yield	Reaction Conditions	Operation in experiment
71%	With 4-methyl-morpholine; HATU In N,N-dimethyl-formamide at 0℃;	8 Example 8 4-{(3aR,6aR)-5-[3-(4-Trifluoromethoxy-phenyl)-propionyl]-hexahydro-pyrrolo[3,4- c]pyrrole-2-carbonyl}-benzenesulfonamide To a white suspension of 4-((3aR,6aR)-octahydropyrrolo[3,4-c]pyrrole-2- carbonyl)benzenesulfonamide hydrochloride (intermediate 4; 40 mg, 121 μιηο), N- methylmorpholine (61.0 mg, 603 μιηο) and 3-(4-(trifluoromethoxy)phenyl)propanoic acid (28.2 mg, 121 μιηο) in N,N-dimethylformamide (5 ml) was added 0-(7-azabenzotriazol-l-yl)- Ν,Ν,Ν',Ν'-tetramethyluronium hexafluoro-phosphate (45.8 mg, 121 μιηο) at 0°C, and the ice bath was removed after 15 min. After 16 h, the reaction mixture was partitioned between dichloromethane and sat. aq. sodium hydrogencarbonate solution. The organic layer was washed with sat. aq. ammonium chloride solution and brine, dried over magnesium sulfate, filtered and evaporated. After trituration in tert-butyl methyl ether the precipitate was collected by filtration to afford the title compound (44 mg, 71 ). White solid, MS: 512.5 (M+H)+.

References: [1]Current Patent Assignee: HOFFMANN LA ROCHE - WO2014/139978, 2014, A1 Location in patent: Page/Page column 62.

3
[ 1810776-18-1 ]
[ 886499-74-7 ]
[ 1810776-43-2 ]

Yield	Reaction Conditions	Operation in experiment
10%	With 4-methyl-morpholine; HATU In N,N-dimethyl-formamide at 0 - 20℃; for 17h; Inert atmosphere;	14 1-[2-(1,4,6,7-tetrahydrotriazolo[4,5-c]pyridine-5-carbonyl)-4,5,7,8-tetrahydropyrazolo[1,5-dl [1,4]diazepin-6-yl] -3- [4-(trifluoromethoxy)phenyl]propan- 1-one 4-Methylmorpholine (84.5 mg) was added drop wise over a period of 5 minutes to a suspension of (6,7-dihydro- 1H- [1 ,2,3]triazolo[4,5-c]pyridin-5(4H)-yl)(5,6,7,8-tetrahydro-4H-pyrazolo[ 1,5- d][1,4]diazepin-2-yl)methanone (Intermediate 9, 80 mg) and 3-(4-(trifluoromethoxy)phenyl)propanoic acid (CAS: 886499-74-7; 71.7 mg,) in dimethylformamide (4.0 mL) at room temperature under an argon atmosphere. The mixture was cooled down to 0°C and HATU (117 mg) was added. The mixture was warmed up to room temperature for 17 h. The reaction mixture was poured into ice/water and the aqueous phase was then extracted two times with ethyl acetate. The combined organic layers were washed with brine, dried over Na2SO4,filtered and evaporated. Toluene was added and the mixture was once again evaporated. The crude material was purified by flash chromatography (silica gel, gradient of ethyl acetate in heptane) to give the title compound as a white solid (13 mg, 10 %). MS (mle): 504.6 [M+H]

References: [1]Current Patent Assignee: HOFFMANN LA ROCHE - WO2015/144609, 2015, A1 Location in patent: Page/Page column 71; 72.

4
[ 886499-74-7 ]
[ 1000519-40-3 ]

Yield	Reaction Conditions	Operation in experiment
	With dimethylsulfide borane complex In tetrahydrofuran at 0 - 20℃; for 18h;	General procedure for obtaining derivatives of (3-Bromopropyl)benzene General procedure: To a stirred solution of 3- or 4-substituted phenylpropanoic acid 51-63 (7.0 mmol) in dry THF (35 ml), borane dimethyl sulfide (21.0 mmol) was added dropwise at 0 oC. The reaction mixture was stirred for 18h at room temperature, quenched with H2O and concentrated in vacuo. The resulting residue was re-dissolved in diethyl ether (25 ml), and washed with 10%NaOH (30ml) and brine. The organic fraction was dried over Na2SO4, filtered, and concentrated in vacuo to give 3-phenylpropan-1-ol derivatives that were used in the next step without further purification.
100 %	Stage #1: 3-(4-(trifluoromethoxy)phenyl)propanoic acid With sodium tetrahydroborate In tetrahydrofuran at 0℃; Stage #2: With boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 20℃;	227 Synthesis of Intermediate III-47 Add 4-trifluoromethoxyphenylpropionic acid (400 mg, 1.71 mmol) to anhydrous tetrahydrofuran (4 mL), add sodium borohydride (130 mg, 3.41 mmol) in batches under ice bath, continue stirring at 0°C for 10 minutes, and observe After the bubbles stop generating, add boron trifluoride ether (222 μL, 1.80 mmol) dropwise. After the drops are completed, slowly rise to room temperature and react for 8 hours. After the reaction, add water (20 mL) to the reaction solution to quench, extract with ethyl acetate (10 mL x 3), combine the organic phases, wash with saturated brine (10 mL x 1), dry over anhydrous sodium sulfate, filter, and evaporate the solvent under reduced pressure. , to obtain intermediate III-47 (light yellow oily liquid, 379 mg).
100 %	Stage #1: 3-(4-(trifluoromethoxy)phenyl)propanoic acid With sodium tetrahydroborate In tetrahydrofuran at 0℃; Stage #2: With boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 20℃;	227 Synthesis of Intermediate III-47 Add 4-trifluoromethoxyphenylpropionic acid (400 mg, 1.71 mmol) to anhydrous tetrahydrofuran (4 mL), add sodium borohydride (130 mg, 3.41 mmol) in batches under ice bath, continue stirring at 0°C for 10 minutes, and observe After the bubbles stop generating, add boron trifluoride ether (222 μL, 1.80 mmol) dropwise. After the drops are completed, slowly rise to room temperature and react for 8 hours. After the reaction, add water (20 mL) to the reaction solution to quench, extract with ethyl acetate (10 mL x 3), combine the organic phases, wash with saturated brine (10 mL x 1), dry over anhydrous sodium sulfate, filter, and evaporate the solvent under reduced pressure. , to obtain intermediate III-47 (light yellow oily liquid, 379 mg).

References: [1]Yamashita, Yasunobu; Tanaka, Ken-ichiro; Yamakawa; Asano; Kanda, Yuki; Takafuji; Kawahara, Masahiro; Takenaga, Mitsuko; Fukunishi, Yoshifumi; Mizushima [Bioorganic and Medicinal Chemistry, 2019, vol. 27, # 15, p. 3339 - 3346].
[2]Current Patent Assignee: CHINA PHARMACEUTICAL UNIVERSITY - CN117682973, 2024, A Location in patent: Paragraph 1667-1671.
[3]Current Patent Assignee: CHINA PHARMACEUTICAL UNIVERSITY - CN117682973, 2024, A Location in patent: Paragraph 1667-1671.

5
[ 886499-74-7 ]
[ 1117-97-1 ]
[ 2368937-92-0 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 3-[4-(trifluoromethoxy)phenyl]propanoic acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 1h; Inert atmosphere; Stage #2: N,0-dimethylhydroxylamine With triethylamine In dichloromethane at 20℃; for 18h; Inert atmosphere;	1 3-(4-Bromo-phenyl)-N-methoxy-N-methylpropanamide General procedure: The reaction is carried out under an argon atmosphere. A mixture of 3-(4-bromo- phenyl)-propionic acid (500 mg; 2.18 mmol) and 1 ,T-carbonyldiimidazole (389 mg; 2.40 mmol) in 10 mL dichloromethane is stirred at room temperature for 1 hour. Triethylamine (440 pl3.27 mmol) and N,O-dimethylhydroxylamine hydrochloride (234 mg; 2.40 mmol) are added. After stirring at room temperature for 18 hours the organic layer is washed with HCI (1 M aqueous solution), water and NaHCOs (saturated aqueous solution). The organic layer is dried and concentrated under reduced pressure. The residue is further used as crude product.Yield: 560 mg (94% of theory) HPLC (Method 2): Retention time = 1.026 min.

References: [1]Current Patent Assignee: BOEHRINGER INGELHEIM INTERNATIONAL - WO2019/149657, 2019, A1 Location in patent: Page/Page column 65; 66.

6
[ 1261453-44-4 ]
[ 886499-74-7 ]

Yield	Reaction Conditions	Operation in experiment
	With water; sodium hydroxide In methanol at 20℃; for 16h;	214 Synthesis of 4-((4-(3,4-dichlorophenyl)thiazol-2-yl)thio)-1H-1,2,3-triazole-5- carboxylic acid (2) General procedure: A mixture of Compound 1 (100 mg, 0.25 mmol) and NaOH (100 mg, 2.5 mmol) in THF (20 mL) and H2O (2 mL) was stirred at room temperature for 16 hours. The mixture was concentrated and the residue was purified with preparative HPLC to afford Compound 2. LC-MS (ESI) m/z: 373 [M+H]+.1H-NMR (DMSO-d6, 400 MHz): d (ppm) 7.14 (brs, 2H), 7.68-7.71 (m, 1H), 7.89-7.92 (m, 1H), 8.15-8.18 (m, 2H).
99 %	With lithium hydroxide hydrate; water In tetrahydrofuran; ethanol at 20℃;	213.3 Step 3: 3-[4-(Trifluoromethoxy)phenyl]propanoic acid To a solution of ethyl 3-[4-(trifluoromethoxy)phenyl]propanoate (2500 mg, 9.53 mmol) in tetrahydrofuran (20 mL) and ethanol (2 mL) was added hydroxyl lithium hydrate (1400 mg, 33.37 mmol) in water (4 mL). The reaction mixture was stirred at 20°C for 2 h. The reaction mixture was adjusted to pH = 2 with HCl (1 mol/L). Then the mixture was extracted with ethyl acetate (30 x 3 mL). The combined organic layers were dried over anhydrous sodium sulfate, filtered was concentrated under vacuum to provide the title compound (2200 mg, 99% yield).
99 %	With lithium hydroxide hydrate; water In tetrahydrofuran; ethanol at 20℃;	213.3 Step 3: 3-[4-(Trifluoromethoxy)phenyl]propanoic acid To a solution of ethyl 3-[4-(trifluoromethoxy)phenyl]propanoate (2500 mg, 9.53 mmol) in tetrahydrofuran (20 mL) and ethanol (2 mL) was added hydroxyl lithium hydrate (1400 mg, 33.37 mmol) in water (4 mL). The reaction mixture was stirred at 20°C for 2 h. The reaction mixture was adjusted to pH = 2 with HCl (1 mol/L). Then the mixture was extracted with ethyl acetate (30 x 3 mL). The combined organic layers were dried over anhydrous sodium sulfate, filtered was concentrated under vacuum to provide the title compound (2200 mg, 99% yield).

99 %

With lithium hydroxide hydrate; water In tetrahydrofuran; ethanol at 20℃;

213.3 Step 3: 3-[4-(Trifluoromethoxy)phenyl]propanoic acid To a solution of ethyl 3-[4-(trifluoromethoxy)phenyl]propanoate (2500 mg, 9.53 mmol) in tetrahydrofuran (20 mL) and ethanol (2 mL) was added hydroxyl lithium hydrate (1400 mg, 33.37 mmol) in water (4 mL). The reaction mixture was stirred at 20°C for 2 h. The reaction mixture was adjusted to pH = 2 with HCl (1 mol/L). Then the mixture was extracted with ethyl acetate (30 x 3 mL). The combined organic layers were dried over anhydrous sodium sulfate, filtered was concentrated under vacuum to provide the title compound (2200 mg, 99% yield).

References: [1]Current Patent Assignee: BIOMARIN PHARMACEUTICAL - WO2020/257487, 2020, A1 Location in patent: Paragraph 00464-00466; 001258; 001259.
[2]Current Patent Assignee: GENENTECH - WO2023/97234, 2023, A1 Location in patent: Paragraph 490-491.
[3]Current Patent Assignee: GENENTECH - WO2023/97234, 2023, A1 Location in patent: Paragraph 490-491.
[4]Current Patent Assignee: GENENTECH - WO2023/97234, 2023, A1 Location in patent: Paragraph 490-491.

7
[ 886499-74-7 ]
[ 2167721-93-7 ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride; N,N-dimethyl-formamide In dichloromethane Reflux;	4.1.1 N-(5-Bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-phenylacetamide (3) General procedure: To a stirred solution of 2-phenylacetic acid (69mg, 0.51mmol) in dichloromethane (1mL) was added SOCl2 (66mg, 0.55mmol) and catalytic amount of DMF. The reaction solution was heated to reflux for 1h, and then cooled for later use. 5-Bromo-1H-thieno[3,2-c]pyrazol-3-amine 2 (100mg, 0.46mmol) was dissolved in pyridine (2mL), and the 2-phenylacetyl chloride prepared above was added dropwise. The reaction mixture was stirred at 110 for 6h, quenched by the addition of methanol (2mL), and concentrated under reduced pressure. The residues were purified by silica gel chromatography (hexane/EtOAc=2:1) to give 3 (114mg, 74 %) as a yellowish solid.
	With thionyl chloride; N,N-dimethyl-formamide In dichloromethane Reflux;	4.1.1 N-(5-Bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-phenylacetamide (3) General procedure: To a stirred solution of 2-phenylacetic acid (69mg, 0.51mmol) in dichloromethane (1mL) was added SOCl2 (66mg, 0.55mmol) and catalytic amount of DMF. The reaction solution was heated to reflux for 1h, and then cooled for later use. 5-Bromo-1H-thieno[3,2-c]pyrazol-3-amine 2 (100mg, 0.46mmol) was dissolved in pyridine (2mL), and the 2-phenylacetyl chloride prepared above was added dropwise. The reaction mixture was stirred at 110 for 6h, quenched by the addition of methanol (2mL), and concentrated under reduced pressure. The residues were purified by silica gel chromatography (hexane/EtOAc=2:1) to give 3 (114mg, 74 %) as a yellowish solid.
	With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 60℃;

References: [1]Yan, Ning; Xie, Fei; Tang, Long-Qian; Wang, De-Feng; Li, Xiang; Liu, Chao; Liu, Zhao-Peng [Bioorganic Chemistry, 2023, vol. 138].
[2]Yan, Ning; Xie, Fei; Tang, Long-Qian; Wang, De-Feng; Li, Xiang; Liu, Chao; Liu, Zhao-Peng [Bioorganic Chemistry, 2023, vol. 138].
[3]Yuan, Pan-Feng; Huang, Xie-Tian; Long, Linhong; Huang, Tao; Sun, Chun-Lin; Yu, Wei; Wu, Li-Zhu; Chen, Hui; Liu, Qiang [Angewandte Chemie - International Edition, 2024, vol. 63, # 8][Angew. Chem., 2024, vol. 136, # 8].

8
[ 2172098-44-9 ]
[ 886499-74-7 ]
[ 2933298-12-3 ]

Yield	Reaction Conditions	Operation in experiment
87 %	With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃;	213.4 Step 4: 1-(2,2-Dioxido-2-thia-7-azaspiro[3.5]nonan-7-yl)-3-(4-(trifluoromethoxy)phenyl)propan-1-one To a solution of 4-(trifluoromethoxy)hydrocinnamic acid (66.37 mg, 0.28 mmol), 2-thia-7- azaspiro[3.5]nonane 2,2-dioxide hydrochloride (50 mg, 0.24 mmol) and N,N-diisopropylethylamine (0.1 mL, 0.59 mmol) in dichloromethane (1.0 mL) was added HATU (134.7 mg, 0.35 mmol). The resulting mixture was stirred at 20°C for 2 h, was then diluted with brine (10 mL) and extracted with ethyl acetate (20 mL x 2). The combined organic layers were concentrated under reduced pressure and the resulting residue was purified by silica column chromatography (0 → 50% ethyl acetate in petroleum ether) to provide the title compound (80 mg, 87% yield).
87 %	With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃;	213.4 Step 4: 1-(2,2-Dioxido-2-thia-7-azaspiro[3.5]nonan-7-yl)-3-(4-(trifluoromethoxy)phenyl)propan-1-one To a solution of 4-(trifluoromethoxy)hydrocinnamic acid (66.37 mg, 0.28 mmol), 2-thia-7- azaspiro[3.5]nonane 2,2-dioxide hydrochloride (50 mg, 0.24 mmol) and N,N-diisopropylethylamine (0.1 mL, 0.59 mmol) in dichloromethane (1.0 mL) was added HATU (134.7 mg, 0.35 mmol). The resulting mixture was stirred at 20°C for 2 h, was then diluted with brine (10 mL) and extracted with ethyl acetate (20 mL x 2). The combined organic layers were concentrated under reduced pressure and the resulting residue was purified by silica column chromatography (0 → 50% ethyl acetate in petroleum ether) to provide the title compound (80 mg, 87% yield).
87 %	With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃;	213.4 Step 4: 1-(2,2-Dioxido-2-thia-7-azaspiro[3.5]nonan-7-yl)-3-(4-(trifluoromethoxy)phenyl)propan-1-one To a solution of 4-(trifluoromethoxy)hydrocinnamic acid (66.37 mg, 0.28 mmol), 2-thia-7- azaspiro[3.5]nonane 2,2-dioxide hydrochloride (50 mg, 0.24 mmol) and N,N-diisopropylethylamine (0.1 mL, 0.59 mmol) in dichloromethane (1.0 mL) was added HATU (134.7 mg, 0.35 mmol). The resulting mixture was stirred at 20°C for 2 h, was then diluted with brine (10 mL) and extracted with ethyl acetate (20 mL x 2). The combined organic layers were concentrated under reduced pressure and the resulting residue was purified by silica column chromatography (0 → 50% ethyl acetate in petroleum ether) to provide the title compound (80 mg, 87% yield).

References: [1]Current Patent Assignee: GENENTECH - WO2023/97234, 2023, A1 Location in patent: Paragraph 492-493.
[2]Current Patent Assignee: GENENTECH - WO2023/97234, 2023, A1 Location in patent: Paragraph 492-493.
[3]Current Patent Assignee: GENENTECH - WO2023/97234, 2023, A1 Location in patent: Paragraph 492-493.

9
[ 3087863-43-9 ]
[ 886499-74-7 ]
[ 3087863-76-8 ]

Yield	Reaction Conditions	Operation in experiment
51%	Stage #1: 3-(4-(trifluoromethoxy)phenyl)propanoic acid With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: (S)-2-amino-N-((S)-1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)-4-methylpentanamide With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 25℃; for 13h;

References: [1]Flury, Philipp; Krüger, Nadine; Sylvester, Katharina; Breidenbach, Julian; Al Hamwi, Ghazl; Qiao, Jingxin; Chen, Yan; Rocha, Cheila; Serafim, Mateus Sá Magalhães; Barbosa da Silva, Elany; Pöhlmann, Stefan; Poso, Antti; Kronenberger, Thales; Rox, Katharina; O’Donoghue, Anthony J.; Yang, Shengyong; Sträter, Norbert; Gütschow, Michael; Laufer, Stefan A.; Müller, Christa E.; Pillaiyar, Thanigaimalai [Journal of Medicinal Chemistry, 2025, vol. 68, # 3, p. 3626 - 3652].

10
[ 886499-74-7 ]
[ 185388-85-6 ]

Yield	Reaction Conditions	Operation in experiment
64.6%	Stage #1: 3-(4-(trifluoromethoxy)phenyl)propanoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 2h; Stage #2: With aluminum (III) chloride In dichloromethane	7 Procedure for the Synthesis of Compound 27-2 6-Trifluoromethoxy-1-indanone To a solution of compound 27-1 (1 g, 4.27 mmol)in DCM at 0° C. was added a catalytic amount of DMF.Oxalyl chloride (0.72 ml, 8.67 mmol) was added dropwiseto the reaction and the mixture was stirred at rt for 2 hours.Evaporate the solvent under rota evaporator and redissolvedin DCM. Then, added AICI3 (1.14 g, 8.67 mmol) portionwise at 0° C., and the reaction mixture was stirred at rt forovernight. Cooled down to 0° C. and quenched with water.Extracted with DCM, organic layer was dried over Na2SO4,filtered, and concentrated to give desired product 27-2 (596mg, 64.6% yield). m/z=217.7 [M+H]+. 1H NMR (300 MHZ) (CDCl3) (ppm): 2.69-2.82(m, 2H); 3.08-3.23 (m, 2H); 7.46-7.64 (m, 2H); 7.78 (d,J=2.2 Hz, 1H). 19F NMR (300 MHZ) (CDCl3) (ppm): - 58.0.

References: [1]Current Patent Assignee: RIVO BIO - US2025/228798, 2025, A1 Location in patent: Paragraph 0164-0167.

Historical Records

Technical Information

• Alkyl Halide Occurrence • Arndt-Eistert Homologation • Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Friedel-Crafts Reaction • Hunsdiecker-Borodin Reaction • Hydrogenolysis of Benzyl Ether • Nomenclature of Ethers • Passerini Reaction • Preparation of Alkylbenzene • Preparation of Amines • Preparation of Carboxylic Acids • Preparation of Ethers • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Reactions of Ethers • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Ugi Reaction • Vilsmeier-Haack Reaction

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3-(3-(Trifluoromethoxy)phenyl)propanoic acid

Similarity: 0.98

A300166 [1373921-13-1]

3-(2-Methyl-4-(trifluoromethoxy)phenyl)propanoic acid

Similarity: 0.94

A637504 [1373921-10-8]

3-(2-Methyl-5-(trifluoromethoxy)phenyl)propanoic acid

Similarity: 0.94

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
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.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
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.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
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

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CAS No.: 886499-74-7

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