(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid

Base Information

• Chemical Name: (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid
• CAS No.: 216439-76-8
• Molecular Formula: C20H30BNO6
• Molecular Weight: 391.272
• European Community (EC) Number: 812-361-9
• Nikkaji Number: J1.054.120D
• Mol file: 216439-76-8.mol

Synonyms:216439-76-8;(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid;(S)-2-(Tert-butoxycarbonylamino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid;L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;Boc-4-pinicalborane-L-phenylalanine;N-BOC-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-L-PHENYLALANINE;MFCD03412130;(S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PROPANOIC ACID;C20H30BNO6;SCHEMBL1818988;QEDPTINTWPOCHA-HNNXBMFYSA-N;AMY38724;CS-M3317;AKOS027326492;(S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PROPANOIC;AC-31308;CID 10644158;DS-11966;N-Boc-4-(pinacolyloxylboronyl)-L-phenylalanine;A925125;N-tert-butyloxycarbonyl-4-pinacolatoborono-L-phenylalanine;N-(tert-Butoxycarbonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-L-phenylalanine;(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoicacid

Chemical Property of (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid

Chemical Property:

• Boiling Point: 537.2±50.0 °C(Predicted)
• PKA: 3.86±0.10(Predicted)
• PSA: 94.09000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 2.89710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 391.2166178
• Heavy Atom Count: 28
• Complexity: 562

Purity/Quality:

99%, ^*data from raw suppliers

(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C

Technology Process of (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid

There total 9 articles about (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic 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: 91.0%

N-Boc-4-I-Phe-OH (103882-09-3,62129-44-6) + bis(pinacol)diborane (73183-34-3) → (S)-methyl 2-(tert-butoxycarbonylamino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate (216439-76-8)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Inert atmosphere;

Reference yield: 89.0%

methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate (220587-29-1,335030-24-5) → (S)-methyl 2-(tert-butoxycarbonylamino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate (216439-76-8)

Guidance literature:

With lithium hydroxide monohydrate; In tert-butyl methyl ether; water; at 0 ℃; for 0.5h; Large scale;

DOI:10.1021/acs.oprd.9b00520

Reference yield: 76.0%

→ (S)-methyl 2-(tert-butoxycarbonylamino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate (216439-76-8)

Guidance literature:

In n-heptane; tert-butyl methyl ether; at 5 - 42 ℃; Purification / work up;

upstream raw materials:

methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate

2,3-dimethyl-2,3-butane diol

N-Boc-4-I-Phe-OH

bis(pinacol)diborane

Downstream raw materials:

(S)-3-[4-(2-amino-6-chloropyrimidin-4-yl)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

C₃₂H₃₉N₅O₈

(S)-3-(4-(2-amino-6-((R)-2,2,2-trifluoro-1-(3'-methoxy-[1,1'-biphenyl]-4-yl)ethoxy)pyrimidin-4-yl)phenyl)-2-((tertbutoxycarbonyl)amino)propanoic acid

4-pinicalborane-L-phenylalanine

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 216439-76-8 Boc-4-pinicalborane-L-phenylalanine

Send

Send

Metric Ton KG G Pound L ML

Send

Send