4-((tert-Butoxycarbonyl)(methyl)amino)butanoic acid

Base Information

• Chemical Name: 4-((tert-Butoxycarbonyl)(methyl)amino)butanoic acid
• CAS No.: 94994-39-5
• Molecular Formula: C10H19NO4
• Molecular Weight: 217.265
• European Community (EC) Number: 837-904-7
• Mol file: 94994-39-5.mol

Synonyms:94994-39-5;4-((tert-Butoxycarbonyl)(methyl)amino)butanoic acid;4-{[(tert-butoxy)carbonyl](methyl)amino}butanoic acid;Boc-N-methyl-gamma-aminobutyric acid;4-(tert-butoxycarbonyl-methyl-amino)-butyric acid;MFCD09831984;4-([(tert-Butoxy)carbonyl](methyl)amino)butanoic acid;4-((tert-butoxycarbonyl)(methyl)amino)butanoicacid;4-[(tert-butoxycarbonyl)(methyl)amino]butanoic acid;4-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]BUTANOICACID;4-[{[(1,1-Dimethylethyl)oxy]carbonyl}(methyl)amino)butanoic acid;4-[{[(1,1-dimethylethyl)oxy]carbonyl}(methyl)amino]butanoic acid;4-(N-BOC-N-METHYL-AMINO)-BUTYRIC ACID;SCHEMBL693386;PXAKQDWAISFHCM-UHFFFAOYSA-N;4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic Acid;AB6481;4-((Boc)(methyl)amino)butanoic acid;AKOS008126011;CS-W005842;AS-19947;SY107643;EN300-49664;A859219;4-(N-t-butyloxycarbonyl-N-methylamino)butanoic acid;4-(N-tert-butoxycarbonyl-N-methylamino)butyric acid;F8880-8286;Z382704896

Chemical Property of 4-((tert-Butoxycarbonyl)(methyl)amino)butanoic acid

Chemical Property:

• Boiling Point: 332.5±21.0 °C(Predicted)
• PKA: 4.70±0.10(Predicted)
• PSA: 66.84000
• Density: 1.091±0.06 g/cm3(Predicted)
• LogP: 1.71810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 217.13140809
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

98.5% ^*data from raw suppliers

Boc-N-Methyl-gaMMa-aMinobutyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(C)CCCC(=O)O
• Uses: 4-((tert-Butoxycarbonyl)(methyl)amino)butanoic Acid is used in preparation of substituted straight chain spiro derivatives as menin/MLL protein/protein interaction inhibitors useful for treating diseases.

Technology Process of 4-((tert-Butoxycarbonyl)(methyl)amino)butanoic acid

There total 10 articles about 4-((tert-Butoxycarbonyl)(methyl)amino)butanoic 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-(methylamino)butyric acid hydrochloride (6976-17-6) → 4-[(tert-butoxycarbonyl)(methyl)amino]butanoic acid (94994-39-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 72h;

Reference yield: 96.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-(methylamino)butyric acid hydrochloride → 4-[(tert-butoxycarbonyl)(methyl)amino]butanoic acid (94994-39-5)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In 1,4-dioxane; N,N-dimethyl-formamide; at 20 ℃; for 15h; Inert atmosphere;

DOI:10.1002/chem.201803930

Reference yield: 93.0%

→ 4-[(tert-butoxycarbonyl)(methyl)amino]butanoic acid (94994-39-5)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 16h;

upstream raw materials:

4-(methylamino)butyric acid

di-tert-butyl dicarbonate

N-(tert-butoxycarbonyl)-4-aminobutanoic acid

methyl iodide

Downstream raw materials:

1-methyl-pyrrolidin-2-one

C₂HF₃O₂*C₁₁H₁₅NO₂

C₁₆H₂₃NO₄

Refernces

• 1、 -. "DC-SIGN ANTIBODY CONJUGATES COMPRISING STING AGONISTS". Page/Page column 597. . Retrieved 2020/05/29.
• 2、 Martínez-Crespo, Luís,Escudero-Adán, Eduardo C.,Costa, Antonio,Rotger, Carmen. "The Role of N-Methyl Squaramides in a Hydrogen-Bonding Strategy to Fold Peptidomimetic Compounds". . p. 17802 - 17813. Retrieved 2018/11/23.