1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Base Information

Chemical Name:1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CAS No.:169750-31-6
Molecular Formula:C₁₃H₁₄F₃NO₂
Molecular Weight:273.255
Hs Code.:2933990090
DSSTox Substance ID:DTXSID40599241
Mol file:169750-31-6.mol

Synonyms:1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;169750-31-6;1210383-94-0;1-BENZYL-4-TRIFLUOROMETHYL-PYRROLIDINE-3-CARBOXYLIC ACID;1-(PHENYLMETHYL)-4-(TRIFLUOROMETHYL)-TRANS-3-PYRROLIDINECARBOXYLIC ACID;trans-1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;MFCD12974801;DIKEGULACDIHYDRAT;SCHEMBL4264860;DTXSID40599241;MFCD11848053;AKOS010603956;SY355129;CS-0269971;EN300-88944;G10801;(3R,4R)-1-Benzyl-3-carboxy-4-(trifluoromethyl)pyrrolidine;3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-4-(trifluoromethyl)-

Suppliers and Price of 1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Labseeker
1-Benzyl-4-trifluoromethyl-pyrrolidine-3-carboxylicacid 95
10g
$ 4200.00

Crysdot
1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylicacid 95+%
25g
$ 2823.00

Crysdot
1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylicacid 95+%
10g
$ 1692.00

Crysdot
1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylicacid 95+%
5g
$ 1126.00

Crysdot
1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylicacid 95+%
1g
$ 465.00

American Custom Chemicals Corporation
1-BENZYL-4-(TRIFLUOROMETHYL)PYRROLIDINE-3-CARBOXYLIC ACID 95.00%
1G
$ 1872.72

Alichem
1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylicacid
25g
$ 4100.40

Alichem
1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylicacid
10g
$ 2532.60

Alichem
1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylicacid
5g
$ 1704.48

Total 2 raw suppliers

Chemical Property of 1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Chemical Property:

Boiling Point:340.0±42.0 °C(Predicted)
PKA:3.30±0.40(Predicted)
PSA：40.54000
Density:1.343±0.06 g/cm3(Predicted)
LogP:2.31940
Storage Temp.:2-8°C
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:273.09766318
Heavy Atom Count:19
Complexity:326

Purity/Quality:

95+% ^*data from raw suppliers

1-Benzyl-4-trifluoromethyl-pyrrolidine-3-carboxylicacid 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(CN1CC2=CC=CC=C2)C(F)(F)F)C(=O)O

Technology Process of 1-Benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

There total 9 articles about 1-Benzyl-4-(trifluoromethyl)pyrrolidine-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: 93.0%

: 217096-03-2
trans-1-benzyl-4-trifluoromethylpyrrolidine-3-carboxylic acid ethyl ester

: 217096-03-2
C₁₅H₁₈F₃NO₂

: 184844-96-0,169750-31-6
(3R,4R)-1-Benzyl-4-trifluoromethyl-pyrrolidine-3-carboxylic acid

Guidance literature:: trans-1-benzyl-4-trifluoromethylpyrrolidine-3-carboxylic acid ethyl ester; With CAL B lipase; phosphoric acid; In water; at 35 ℃; for 0.25h;

With potassium phosphate; In water; for 42h;
DOI:10.1021/acs.jmedchem.5b01633

Reference yield: 92.0%

: 152188-51-7,217096-03-2
ethyl (+/-)-(3R,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate

: 169750-31-6
(3S,4S)-1-Benzyl-4-trifluoromethyl-pyrrolidine-3-carboxylic acid

Guidance literature:: With sodium hydroxide; In methanol;
DOI:10.1016/S0960-894X(98)00514-9

Reference yield:

: 93102-05-7
N-benzyl-N-(methoxymethyl)-N-[(trimethylsilyl)methyl]amine

: 169750-31-6
(3S,4S)-1-Benzyl-4-trifluoromethyl-pyrrolidine-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / TFA / CH₂Cl₂

2: 92 percent / NaOH / methanol

With sodium hydroxide; trifluoroacetic acid; In methanol; dichloromethane;
DOI:10.1016/S0960-894X(98)00514-9