2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)acetic acid

Base Information

• Chemical Name: 2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)acetic acid
• CAS No.: 261715-71-3
• Molecular Formula: C₁₁H₂₀N₂O₄
• Molecular Weight: 244.291
• DSSTox Substance ID: DTXSID00595885
• Mol file: 261715-71-3.mol

Synonyms:261715-71-3;2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)acetic acid;(3-tert-Butoxycarbonylamino-pyrrolidin-1-yl)-acetic acid;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid;1-Pyrrolidineacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-;{3-[(tert-Butoxycarbonyl)amino]pyrrolidin-1-yl}acetic acid;3-(Boc-amino)-1-pyrrolidineacetic acid;SCHEMBL5847911;DTXSID00595885;AKOS017342987;(3-BOC-aminopyrrolidin-1-yl)acetic acid;AM100591;DB-309942;CS-0273205;3-(DL)-N-BOC-1-PYRROLIDINEACETIC ACID;F79333;EN300-7208019;A877339;(3-tert-Butoxycarbonylamino-pyrrolidin-1-yl)acetic acid;2-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]acetic acid;2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)aceticacid;2-(3-{[(tert-butoxy)carbonyl]amino}pyrrolidin-1-yl)acetic acid

Chemical Property of 2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)acetic acid

Chemical Property:

• Boiling Point: 393.7±42.0 °C(Predicted)
• PKA: 2.47±0.10(Predicted)
• PSA: 78.87000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 0.99880
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 244.14230712
• Heavy Atom Count: 17
• Complexity: 298

Purity/Quality:

97% ^*data from raw suppliers

2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)aceticacid 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)CC(=O)O

Technology Process of 2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)acetic acid

There total 2 articles about 2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-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:

[3-(N-butoxycarbonyl)aminopyrrolidin-1-yl]acetate (261715-70-2) → [3-(N-tert-butoxycarbonyl)aminopyrrolidin-1-yl]acetic acid (261715-71-3)

Guidance literature:

With sodium hydroxide; In methanol; for 20h;

DOI:10.1021/jm990468g

Reference yield:

3-(tert-butoxycarbonylamino)pyrrolidine (99724-19-3,140629-77-2) → [3-(N-tert-butoxycarbonyl)aminopyrrolidin-1-yl]acetic acid (261715-71-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 6.96 g / diisopropylethylamine / acetonitrile / 1.5 h / Heating

2: 6.30 g / aq. sodium hydroxide / methanol / 20 h

With sodium hydroxide; N-ethyl-N,N-diisopropylamine; In methanol; acetonitrile; 1: Acylation / 2: Hydrolysis;

DOI:10.1021/jm990468g

Reference yield:

[3-(N-tert-butoxycarbonyl)aminopyrrolidin-1-yl]acetic acid (261715-71-3) → 3-[(phenylsulfonyl)amino]-N-[cis-1,2,3,4-tetrahydro-6-fluoro-1-(3-pyridinylmethyl)-2-naphthalenyl]-1-pyrrolidineacetamide bis-trifluoroacetate

Guidance literature:

Multi-step reaction with 3 steps

1: 0.251 g / HBTU; DIEA / dimethylformamide / 2 h / 20 °C

2: 0.204 g / CH₂Cl₂; H₂O / 19 h / 20 °C

3: 0.067 g / DIEA / acetonitrile / 3 h / 20 °C

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In dichloromethane; water; N,N-dimethyl-formamide; acetonitrile; 1: Acylation / 2: Hydrolysis / 3: Sulfonylation;

DOI:10.1021/jm990468g

upstream raw materials:

[3-(N-butoxycarbonyl)aminopyrrolidin-1-yl]acetate

3-(tert-butoxycarbonylamino)pyrrolidine

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