(2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid

Base Information

Chemical Name:(2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid
CAS No.:174060-99-2
Molecular Formula:C12H21NO5
Molecular Weight:259.302
Hs Code.:
DSSTox Substance ID:DTXSID80444463
Nikkaji Number:J706.193E
Wikidata:Q72449550
Mol file:174060-99-2.mol

Synonyms:174060-99-2;(2S,4S)-N-BOC-4-HYDROXY-3,3-DIMETHYLPYRROLIDINE-2-CARBOXYLIC ACID;(2S,4S)-4-hydroxy-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(4S)-1-(tert-Butoxycarbonyl)-4-hydroxy-3,3-dimethyl-L-proline;(2S,4S)-1-(tert-Butoxycarbonyl)-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid;(2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylicacid;DTXSID80444463;KHLBNVGMWMAGJM-HTQZYQBOSA-N;(4S)-3,3-Dimethyl-4-hydroxy-1-(tert-butoxycarbonyl)proline

Suppliers and Price of (2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-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

Biosynth Carbosynth
(2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylicacid
10 mg
$ 203.00

Biosynth Carbosynth
(2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylicacid
5 mg
$ 117.00

Biosynth Carbosynth
(2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylicacid
2 mg
$ 59.00

Biosynth Carbosynth
(2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylicacid
50 mg
$ 704.00

Biosynth Carbosynth
(2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylicacid
25 mg
$ 405.00

AK Scientific
(4S)-1-(Tert-Butoxycarbonyl)-4-hydroxy-3,3-dimethyl-L-proline
5mg
$ 207.00

Total 9 raw suppliers

Chemical Property of (2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.507
Boiling Point:392.123 °C at 760 mmHg
PKA:3.83±0.60(Predicted)
Flash Point:190.95 °C
PSA：87.07000
Density:1.208 g/cm³
LogP:1.01530
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:259.14197277
Heavy Atom Count:18
Complexity:358

Purity/Quality:

97% ^*data from raw suppliers

(2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(CN(C1C(=O)O)C(=O)OC(C)(C)C)O)C
Isomeric SMILES:CC1([C@@H](CN([C@@H]1C(=O)O)C(=O)OC(C)(C)C)O)C

Technology Process of (2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid

There total 5 articles about (2S,4S)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-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: 92.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 173913-65-0
(2S,4S)-3,3-dimethyl-4-hydroxy-N-(9-phenylfluoren-9-yl)proline benzyl ester

: 174060-99-2
(4S)-4-hydroxy-3,3-dimethyl-pyrrolidine-(2S)-1,2-dicarboxylic acid 1-tert-butyl ester

Guidance literature:: With hydrogen; palladium on activated charcoal; In tetrahydrofuran; for 48h; under 3800 Torr;
DOI:10.1021/jo9514984

Reference yield: 58.0%

: C₁₂H₂₀INO₄

: 24424-99-5
di-tert-butyl dicarbonate

: 174060-99-2
(4S)-4-hydroxy-3,3-dimethyl-pyrrolidine-(2S)-1,2-dicarboxylic acid 1-tert-butyl ester

Guidance literature:: C₁₂H₂₀INO₄; With trifluoroacetic acid; In dichloromethane; at 25 ℃; for 3h; Heating / reflux;

With barium dihydroxide; In tetrahydrofuran; water; at 25 ℃; for 4h;

di-tert-butyl dicarbonate; In tetrahydrofuran; water; at 25 ℃; for 16h;

Reference yield:

: 173913-63-8
(2S)-3,3-dimethyl-4-oxo-N-(9-phenylfluoren-9-yl)proline benzyl ester

: 174060-99-2
(4S)-4-hydroxy-3,3-dimethyl-pyrrolidine-(2S)-1,2-dicarboxylic acid 1-tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 58 percent / LiAlH₄ / tetrahydrofuran / 0.5 h / -78 °C

2: 1.) H₂, 2.) Et₃N, TBTU / 1.) Pd/C / 1.) MeOH, 2.) MeCN

With lithium aluminium tetrahydride; hydrogen; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; palladium on activated charcoal; In tetrahydrofuran;
DOI:10.1021/jo9514984