methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate;chloride

Base Information

• Chemical Name: methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate;chloride
• CAS No.: 66831-17-2
• Molecular Formula: C₁₃H₁₇NO₃*ClH
• Molecular Weight: 271.744
• Hs Code.: 2933990090

Synonyms:methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate;chloride

Chemical Property of methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate;chloride

Chemical Property:

• Vapor Pressure: 0.000154mmHg at 25°C
• Boiling Point: 331.6oC at 760 mmHg
• Flash Point: 154.3oC
• PSA: 47.56000
• LogP: 2.23750
• Storage Temp.: -15°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 271.0975211
• Heavy Atom Count: 18
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

O-Benzyl-L-trans-4-hydroxyproline methyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CC(C[NH2+]1)OCC2=CC=CC=C2.[Cl-]
• Isomeric SMILES: COC(=O)[C@@H]1C[C@H](C[NH2+]1)OCC2=CC=CC=C2.[Cl-]
• Uses: H-Hyp(Bzl)-OMe HCl

Technology Process of methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate;chloride

There total 3 articles about methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate;chloride 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%

1-(tert-butyl) 2-methyl (2S,4R)-4-(benzyloxy)pyrrolidine-1,2-dicarboxylate (136024-60-7) → (2S,4R)-methyl 4-(benzyloxy)pyrrolidine-2-carboxylate hydrochloride (66831-17-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c4cc03660c

Reference yield:

L-4-hydroxyproline methyl ester hydrochloride (40216-83-9) → (2S,4R)-methyl 4-(benzyloxy)pyrrolidine-2-carboxylate hydrochloride (66831-17-2)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine; dmap / dichloromethane / 16 h / 20 °C / Inert atmosphere

2: sodium hydride / N,N-dimethyl-formamide; mineral oil / 3 h / Inert atmosphere

3: hydrogenchloride / 1,4-dioxane; water / 1 h / 20 °C / Inert atmosphere

With hydrogenchloride; dmap; sodium hydride; triethylamine; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide; mineral oil;

DOI:10.1039/c4cc03660c

Reference yield:

1-tert-butyl 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate (74844-91-0) → (2S,4R)-methyl 4-(benzyloxy)pyrrolidine-2-carboxylate hydrochloride (66831-17-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 3 h / Inert atmosphere

2: hydrogenchloride / 1,4-dioxane; water / 1 h / 20 °C / Inert atmosphere

With hydrogenchloride; sodium hydride; In 1,4-dioxane; water; N,N-dimethyl-formamide; mineral oil;

DOI:10.1039/c4cc03660c

upstream raw materials:

1-tert-butyl 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

L-4-hydroxyproline methyl ester hydrochloride

1-(tert-butyl) 2-methyl (2S,4R)-4-(benzyloxy)pyrrolidine-1,2-dicarboxylate

Downstream raw materials:

C₂₂H₃₁N₃O₆

(7R,8aS)-3-allyl-7-(benzyloxy)hexahydropyrrolo[1,2-d][1,2,4]triazine-1,4-dione

(7R)-7-(benzyloxy)-3-(but-3-en-1-yl)hexahydropyrrolo[1,2-d][1,2,4]triazine-1,4-dione

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