1-(3-TRIFLUOROMETHYL-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID

Base Information

• Chemical Name: 1-(3-TRIFLUOROMETHYL-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID
• CAS No.: 100419-30-5
• Molecular Formula: C12H9F3N2O3
• Molecular Weight: 316.508

Synonyms:ART-CHEM-BB B016832;AKOS B016832;1-(3-TRIFLUOROMETHYL-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID

Chemical Property of 1-(3-TRIFLUOROMETHYL-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

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Technology Process of 1-(3-TRIFLUOROMETHYL-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID

There total 2 articles about 1-(3-TRIFLUOROMETHYL-PHENOXYMETHYL)-1 H-PYRAZOLE-3-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: 59.0%

1-Phenylethanol (98-85-1,13323-81-4) + <2S-(2α,3aα,4α,7α,7aα)>-Octahydro-7,8,8-trimethyl-4,7-methanobenzothiophen-2-ol (100419-25-8) → <2S-<2α(S*),3aα,4α,7α,7aα>>-Octahydro-7,8,8-trimethyl-2-(1-phenylethoxy)-4,7-methanobenzothiophen (100419-30-5) + <2S-<2α(R*),3aα,4α,7α,7aα>>-Octahydro-7,8,8-trimethyl-2-(1-phenylethoxy)-4,7-methanobenzothiophen (100483-67-8) + <2R-<2α(R*),3aβ,4β,7β,7aβ>>-Octahydro-7,8,8-trimethyl-2-(1-phenylethoxy)-4,7-methanobenzothiophen (100483-68-9) + <2R-<2α(S*),3aβ,4β,7β,7aβ>>-Octahydro-7,8,8-trimethyl-2-(1-phenylethoxy)-4,7-methanobenzothiophen (100483-69-0)

Guidance literature:

at 0 ℃; for 22h; Product distribution;

Reference yield: 38.0%

1-Phenylethanol (98-85-1,13323-81-4) + <2S-(2α,3aα,4α,7α,7aα)>-Octahydro-7,8,8-trimethyl-4,7-methanobenzothiophen-2-ol (100419-25-8) → <1R->-3-<(Octahydro-7,8,8-trimethyl-4,7-methanobenzothien-2-yl)thio>-4,7,7-trimethylbicyclo<2.2.1>heptan-2-ethanal (100419-27-0) + <2S-<2α(S*),3aα,4α,7α,7aα>>-Octahydro-7,8,8-trimethyl-2-(1-phenylethoxy)-4,7-methanobenzothiophen (100419-30-5) + <2S-<2α(R*),3aα,4α,7α,7aα>>-Octahydro-7,8,8-trimethyl-2-(1-phenylethoxy)-4,7-methanobenzothiophen (100483-67-8) + <2R-<2α(R*),3aβ,4β,7β,7aβ>>-Octahydro-7,8,8-trimethyl-2-(1-phenylethoxy)-4,7-methanobenzothiophen (100483-68-9) + <2R-<2α(S*),3aβ,4β,7β,7aβ>>-Octahydro-7,8,8-trimethyl-2-(1-phenylethoxy)-4,7-methanobenzothiophen (100483-69-0)

Guidance literature:

With toluene-4-sulfonic acid; In chloroform-d1; at 0 ℃; for 0.183333h; Product distribution; Kinetics; var. of time, 4.5 min to 48 h;

Reference yield:

<2S-<2α(S*),3aα,4α,7α,7aα>>-Octahydro-7,8,8-trimethyl-2-(1-phenylethoxy)-4,7-methanobenzothiophen (100419-30-5) → (R)-1-phenylethanol (1517-69-7) + <3aS-(3aα,4α,7α,7aα)>-3a,4,5,6,7,7a-Hexahydro-7,8,8-trimethyl-4,7-methanobenzothiophen (100419-28-1)

Guidance literature:

With toluene-4-sulfonic acid; In chloroform; for 1h; Ambient temperature;

upstream raw materials:

1-Phenylethanol

<2S-(2α,3aα,4α,7α,7aα)>-Octahydro-7,8,8-trimethyl-4,7-methanobenzothiophen-2-ol

Downstream raw materials:

(R)-1-phenylethanol

<3aS-(3aα,4α,7α,7aα)>-3a,4,5,6,7,7a-Hexahydro-7,8,8-trimethyl-4,7-methanobenzothiophen

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