2,4-Dimethyl 1-(phenylmethyl) (2S,4R)-1,2,4-pyrrolidinetricarboxylate

Base Information

Chemical Name:2,4-Dimethyl 1-(phenylmethyl) (2S,4R)-1,2,4-pyrrolidinetricarboxylate
CAS No.:130830-70-5
Molecular Formula:C₁₆H₁₉NO₆
Molecular Weight:321.33
Hs Code.:
DSSTox Substance ID:DTXSID301156803

Synonyms:SCHEMBL8524021;DTXSID301156803;2,4-Dimethyl 1-(phenylmethyl) (2S,4R)-1,2,4-pyrrolidinetricarboxylate;130830-70-5

Suppliers and Price of 2,4-Dimethyl 1-(phenylmethyl) (2S,4R)-1,2,4-pyrrolidinetricarboxylate

Supply Marketing:

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

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Chemical Property of 2,4-Dimethyl 1-(phenylmethyl) (2S,4R)-1,2,4-pyrrolidinetricarboxylate

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:321.12123733
Heavy Atom Count:23
Complexity:446

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC
Isomeric SMILES:COC(=O)[C@@H]1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC

Technology Process of 2,4-Dimethyl 1-(phenylmethyl) (2S,4R)-1,2,4-pyrrolidinetricarboxylate

There total 7 articles about 2,4-Dimethyl 1-(phenylmethyl) (2S,4R)-1,2,4-pyrrolidinetricarboxylate 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: 94.0%

: 67-56-1
methanol

: 130830-66-9
N-(benzyloxycarbonyl)-trans-4-cyano-L-proline ethyl ester

: 130830-70-5
N-(benzyloxycarbonyl)-trans-4-carboxy-L-proline dimethyl ester

Guidance literature:: With hydrogenchloride; for 96h;
DOI:10.1021/jm00106a037

Reference yield:

: 64187-47-9
1-benzyloxycarbonyl-4-keto-L-proline

: 130830-70-5
N-(benzyloxycarbonyl)-trans-4-carboxy-L-proline dimethyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: NaBH₄ / methanol; H₂O / 20 h / -5 °C

2: 83 percent / p-toluenesulfonic acid / 36 h / Heating

3: 80 percent / pyridine / CHCl₃ / 168 h / Ambient temperature

4: 70 percent / dimethylsulfoxide / 3 h / 80 °C

5: 94 percent / HCl / 96 h

With pyridine; hydrogenchloride; sodium tetrahydroborate; toluene-4-sulfonic acid; In methanol; chloroform; water; dimethyl sulfoxide;
DOI:10.1021/jm00106a037

Reference yield:

: 130930-26-6
N-(benzyloxycarbonyl)-cis-4-hydroxy-L-proline ethyl ester

: 130830-70-5
N-(benzyloxycarbonyl)-trans-4-carboxy-L-proline dimethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / pyridine / CHCl₃ / 168 h / Ambient temperature

2: 70 percent / dimethylsulfoxide / 3 h / 80 °C

3: 94 percent / HCl / 96 h

With pyridine; hydrogenchloride; In chloroform; dimethyl sulfoxide;
DOI:10.1021/jm00106a037