2-(3-(tert-Butoxycarbonylamino)-2-oxopyrrolidin-1-yl)acetic acid

Base Information

• Chemical Name: 2-(3-(tert-Butoxycarbonylamino)-2-oxopyrrolidin-1-yl)acetic acid
• CAS No.: 116339-45-8
• Molecular Formula: C₁₁H₁₈N₂O₅
• Molecular Weight: 258.274
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID60576574
• Mol file: 116339-45-8.mol

Synonyms:116339-45-8;2-(3-(tert-Butoxycarbonylamino)-2-oxopyrrolidin-1-yl)acetic acid;2-[3-(Boc-amino)-2-oxopyrrolidin-1-yl]acetic acid;2-(3-((tert-Butoxycarbonyl)amino)-2-oxopyrrolidin-1-yl)acetic acid;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid;2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPYRROLIDIN-1-YL)ACETICACID;2-(3-(BOC-AMINO)-2-OXOPYRROLIDIN-1-YL)ACETIC ACID;(S)-(3-N-Boc-Amino-2-oxo-pyrrolidin-1-yl)-aceticacid;SCHEMBL8081478;DTXSID60576574;{3-[(tert-butoxycarbonyl)amino]-2-oxopyrrolidin-1-yl}acetic acid;2-(3-{[(tert-butoxy)carbonyl]amino}-2-oxopyrrolidin-1-yl)acetic acid;SC1308;AKOS015841520;AB12638;2-(3-BOC-amino-2-oxopyrrolidin-1-yl)acetic acid;A803601;4-Chloro-3-(dimethylaminocarbonyl)phenylboronicacid;J-505710;2-(3-Tert-butoxycarbonylamino-2-oxopyrrolidin-1-yl)acetic acid;2-(3-((tert-Butoxycarbonyl)amino)-2-oxopyrrolidin-1-yl)aceticacid;1-Pyrrolidineacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-

Chemical Property of 2-(3-(tert-Butoxycarbonylamino)-2-oxopyrrolidin-1-yl)acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.527
• Boiling Point: 489.159 °C at 760 mmHg
• PKA: 3.75±0.10(Predicted)
• Flash Point: 249.635 °C
• PSA: 95.94000
• Density: 1.27 g/cm³
• LogP: 0.52540
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 258.12157168
• Heavy Atom Count: 18
• Complexity: 361

Purity/Quality:

97% ^*data from raw suppliers

2-(3-(tert-Butoxycarbonylamino)-2-oxopyrrolidin-1-yl)acetic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1CCN(C1=O)CC(=O)O

Technology Process of 2-(3-(tert-Butoxycarbonylamino)-2-oxopyrrolidin-1-yl)acetic acid

There total 4 articles about 2-(3-(tert-Butoxycarbonylamino)-2-oxopyrrolidin-1-yl)acetic 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: 64.0%

[(R)-3-tert-Butoxycarbonylamino-3-(methoxycarbonylmethyl-carbamoyl)-propyl]-dimethyl-sulfonium; iodide → (R)-3-<(tert-butyloxycarbonyl)amino>-2-oxo-1-pyrrolidineacetic acid (78444-90-3,116339-45-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; 1) 4 deg C, 5 min; 2) room temperature, 15 min;

DOI:10.1021/jm00402a031

Reference yield: 53.0%

Boc-Met-Gly methyl ester methylsulfonium iodide (79839-23-9) → 3(S)-[(tert-butyloxycarbonyl)amino]-2-oxo-1-pyrrolidineacetic acid (79839-26-2,116339-45-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; 1) 4 deg C, 5 min; 2) room temperature, 15 min;

DOI:10.1021/jm00402a031

Reference yield:

methyl (3S)-3-((S)-1-t-butyloxycarbonylamino)-2-oxopyrrolidinoacetate (114200-38-3) → 3(S)-[(tert-butyloxycarbonyl)amino]-2-oxo-1-pyrrolidineacetic acid (79839-26-2,116339-45-8)

Guidance literature:

With sodium hydroxide; In dichloromethane; N,N-dimethyl-formamide; Yield given; Ambient temperature;

DOI:10.1021/jm960572n

upstream raw materials:

Boc-Met-Gly methyl ester methylsulfonium iodide

methyl (3S)-3-((S)-1-t-butyloxycarbonylamino)-2-oxopyrrolidinoacetate

Downstream raw materials:

3(S)-(N-L-prolylamino)-2-oxo-1-pyrrolidineacetamide

3(S)-<amino>-2-oxo-1-pyrrolidineacetamide

3(R)-<amino>-2-oxo-1-pyrrolidineacetamide

Boc-<(R)-3-amino-2-oxo-1-pyrrolidineacetyl>-Trp-Nle-Asp-Phe-NH2