N-Boc-cyclopropyl alanine

Base Information

• Chemical Name: N-Boc-cyclopropyl alanine
• CAS No.: 888323-62-4
• Molecular Formula: C₁₁H₁₉NO₄
• Molecular Weight: 229.276
• Hs Code.: 2922509090
• European Community (EC) Number: 675-900-5
• DSSTox Substance ID: DTXSID90405727
• Mol file: 888323-62-4.mol

Synonyms:N-Boc-cyclopropyl alanine;888323-62-4;N-BOC-CYCLOPROPYL-DL-ALANINE;DL-Boc-cyclopopylalanine;2-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acid;3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;2-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acid;(2R)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;Boc-(S)-3-Cyclopropylalanine;MFCD00798616;MFCD08272865;(R)-2-(Boc-amino)-3-cyclopropylpropionic acid;boc-l-ala(3-cyclopropyl);SCHEMBL956167;DTXSID90405727;n-tboc-beta-cyclopropyl-l-alanine;AMY37585;MFCD08061239;AKOS013464757;AB88370;SB39630;AS-38788;SY116237;SY258199;CS-0139589;FT-0654772;EN300-208065;F2147-6590;Z1201005017;2-tert-Butoxycarbonylamino-3-cyclopropyl-propionic acid, AldrichCPR

Chemical Property of N-Boc-cyclopropyl alanine

Chemical Property:

• Vapor Pressure: 9.93E-07mmHg at 25°C
• Refractive Index: 1.498
• Boiling Point: 377.2°C at 760 mmHg
• PKA: 4.00±0.10(Predicted)
• Flash Point: 181.9°C
• PSA: 75.63000
• Density: 1.162g/cm³
• LogP: 2.15530
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 229.13140809
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

97% ^*data from raw suppliers

Boc-3-cyclopropylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1CC1)C(=O)O

Technology Process of N-Boc-cyclopropyl alanine

There total 3 articles about N-Boc-cyclopropyl alanine 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:

2-tert-butoxycarbonylamino-3-cyclopropyl-propionic acid ethyl ester → (S)-2-((tert-butoxycarbonyl) amino)-3-cyclopropyl propanoic acid (888323-62-4,89483-08-9)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃;

DOI:10.1021/jm060325b

Reference yield:

2-amino-3-cyclopropyl-propionic acid ethyl ester → (S)-2-((tert-butoxycarbonyl) amino)-3-cyclopropyl propanoic acid (888323-62-4,89483-08-9)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 20 °C

2: LiOH*H₂O / tetrahydrofuran; H₂O / 20 °C

With lithium hydroxide; In tetrahydrofuran; dichloromethane; water;

DOI:10.1021/jm060325b

Reference yield:

2-(benzhydrylidene-amino)-3-cyclopropyl-propionic acid ethyl ester → (S)-2-((tert-butoxycarbonyl) amino)-3-cyclopropyl propanoic acid (888323-62-4,89483-08-9)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. HCl / diethyl ether / 20 °C

2: CH₂Cl₂ / 20 °C

3: LiOH*H₂O / tetrahydrofuran; H₂O / 20 °C

With hydrogenchloride; lithium hydroxide; In tetrahydrofuran; diethyl ether; dichloromethane; water;

DOI:10.1021/jm060325b

Downstream raw materials:

((S)-1-{(1R,2S,5S)-2-[1-Cyclopropylmethyl-2-({[((S)-dimethylcarbamoyl-phenyl-methyl)-carbamoyl]-methyl}-carbamoyl)-2-hydroxy-ethylcarbamoyl]-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-3-carbonyl}-2,2-dimethyl-propyl)-carbamic acid tert-butyl ester

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