N-(4-tert-Butylcyclohexane-1-carbonyl)phenylalanine

Base Information

• Chemical Name: N-(4-tert-Butylcyclohexane-1-carbonyl)phenylalanine
• CAS No.: 105746-46-1
• Molecular Formula: C20H29NO3
• Molecular Weight: 331.44900
• DSSTox Substance ID: DTXSID40557765
• Mol file: 105746-46-1.mol

Synonyms:105746-46-1;N-(trans-4-tert-Butyl-cyclohexyl)carbonyl-D-phenylalanine;N-(4-tert-Butylcyclohexane-1-carbonyl)phenylalanine;2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-phenylpropanoic acid;(R)-2-(trans-4-(tert-Butyl)cyclohexanecarboxamido)-3-phenylpropanoic acid;DTXSID40557765;(2R)-3-PHENYL-2-{[(1R,4R)-4-TERT-BUTYLCYCLOHEXYL]FORMAMIDO}PROPANOIC ACID

Chemical Property of N-(4-tert-Butylcyclohexane-1-carbonyl)phenylalanine

Chemical Property:

• Boiling Point: 530.2±39.0 °C(Predicted)
• PKA: 3.61±0.10(Predicted)
• PSA: 69.89000
• Density: 1.099±0.06 g/cm3(Predicted)
• LogP: 4.49130
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 331.21474379
• Heavy Atom Count: 24
• Complexity: 427

Purity/Quality:

99% ^*data from raw suppliers

N-(trans-4-tert-Butyl-cyclohexyl)carbonyl-D-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O
• Uses: N-(TRANS-4-TERT-BUTYL-CYCLOHEXYL)CARBONYL-D-PHENYLALANINE is used as an oral hypoglycemic agent. An analogue of N-(Cyclohexylcarbonyl)-D-phenylalanine.

Technology Process of N-(4-tert-Butylcyclohexane-1-carbonyl)phenylalanine

There total 5 articles about N-(4-tert-Butylcyclohexane-1-carbonyl)phenylalanine 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:

trans-4-(tert-butyl)cyclohexane-1-carboxylic acid (943-29-3) → N-[(trans-4-t-Butylcyclohexyl)carbonyl]-D-phenylalanine (105746-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) N-hydroxysuccinimide, dicyclohexylcarbodiimide / 1) CHCl₃, 3 h, 2) CHCl₃, 25 deg C, 1 d

2: 2N NaOH / methanol

With sodium hydroxide; 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide; In methanol;

DOI:10.1021/jm00127a006

Reference yield:

4-(1,1-dimethylethyl)benzoic acid (98-73-7) → N-[(trans-4-t-Butylcyclohexyl)carbonyl]-D-phenylalanine (105746-46-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 1) H₂, 2) SOCl₂ / 1) PtO₂ / 1) 5 kg/cm², r.t.

2: 1) NaH, 2) 2N aq. NaOH / 1) 150 deg C, 2 h, 2) MeOH, 20 deg C, 10 min

3: 1) N-hydroxysuccinimide, dicyclohexylcarbodiimide / 1) CHCl₃, 3 h, 2) CHCl₃, 25 deg C, 1 d

4: 2N NaOH / methanol

With sodium hydroxide; 1-hydroxy-pyrrolidine-2,5-dione; thionyl chloride; hydrogen; sodium hydride; dicyclohexyl-carbodiimide; platinum(IV) oxide; In methanol;

DOI:10.1021/jm00127a006

Reference yield:

N-<(trans-4-t-Butylcyclohexyl)carbonyl>-D-phenylalanine methyl ester → N-[(trans-4-t-Butylcyclohexyl)carbonyl]-D-phenylalanine (105746-46-1)

Guidance literature:

With sodium hydroxide; In methanol; Yield given;

DOI:10.1021/jm00127a006

upstream raw materials:

trans-4-(tert-butyl)cyclohexane-1-carboxylic acid

methyl 4-tert-butyl-cyclohexanecarboxylate

D-phenylalanine methyl ester

4-(1,1-dimethylethyl)benzoic acid

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 105746-46-1 N-(TRANS-4-TERT-BUTYL-CYCLOHEXYL)CARBONYL-D-PHENYLALANINE

Send

Send

Metric Ton KG G Pound L ML

Send

Send