3-((tert-Butoxycarbonyl)amino)-3-methylbutanoic acid

Base Information

• Chemical Name: 3-((tert-Butoxycarbonyl)amino)-3-methylbutanoic acid
• CAS No.: 129765-95-3
• Molecular Formula: C10H19 N O4
• Molecular Weight: 217.265
• Hs Code.: 2924199090
• European Community (EC) Number: 817-316-7
• DSSTox Substance ID: DTXSID80438923
• Nikkaji Number: J3.161.221G
• Wikidata: Q82254772
• Mol file: 129765-95-3.mol

Synonyms:129765-95-3;3-(TERT-BUTOXYCARBONYLAMINO)-3-METHYLBUTANOIC ACID;3-((tert-Butoxycarbonyl)amino)-3-methylbutanoic acid;3-TERT-BUTOXYCARBONYLAMINO-3-METHYL-BUTYRIC ACID;Boc-3-Amino-3-methyl-butyric acid;N-Boc-3-amino-3-methylbutanoic Acid;3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid;Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-;MFCD09031500;3-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoic acid;3-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid;AMY116;SCHEMBL1401158;DTXSID80438923;LHJVMOIOTPJSLS-UHFFFAOYSA-N;3-BOC-amino-3-methylbutanoic acid;BCP27754;CS-D1552;AKOS013894223;BP-13377;DS-13776;SY009230;FT-0660190;3-t-butoxycarbonylamino-3-methylbutanoic acid;EN300-83139;3-t-butoxycarbonylamino -3-methylbutanoic acid;3-t-butoxycarbonylamino-3-methyl-butanoic acid;A26955;3-tert-butoxycarbonylamino-3-methylbutanoic acid;3-(tert-butoxycarbonylamino)-3-methylbutanoicacid;3-tert-butyloxycarbonylamino-3-methylbutanoic acid;J-510988;3-Methyl-3-[(tert-butyloxycarbonyl)amino]butanoic acid;Z1238628671;3-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methylbutanoic acid

Chemical Property of 3-((tert-Butoxycarbonyl)amino)-3-methylbutanoic acid

Chemical Property:

• Boiling Point: 346.5±25.0 °C(Predicted)
• PKA: 4.45±0.10(Predicted)
• PSA: 75.63000
• Density: 1.082±0.06 g/cm3(Predicted)
• LogP: 2.15530
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 217.13140809
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

3-((tert-Butoxycarbonyl)amino)-3-methylbutanoicAcid ^*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(C)(C)CC(=O)O
• Uses: 3-((tert-Butoxycarbonyl)amino)-3-methylbutanoic Acid is an intermediate used in the synthesis of (2E)-5-(tert-Butyloxycarbonylamino)-5-methylhex-2-enoic Acid (B809765), which is used in the preparation of C-terminal sulfonamide analogs of NN703 as growth hormone secretagogues.

Technology Process of 3-((tert-Butoxycarbonyl)amino)-3-methylbutanoic acid

There total 1 articles about 3-((tert-Butoxycarbonyl)amino)-3-methylbutanoic 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: 79.0%

3-amino-3-methylbutanoic acid (625-05-8) + di-tert-butyl dicarbonate (24424-99-5) → 3-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid (129765-95-3)

Guidance literature:

3-amino-3-methylbutanoic acid; di-tert-butyl dicarbonate; With potassium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 16h;

With hydrogenchloride; In water; pH=3;

Reference yield: 100.0%

3-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid (129765-95-3) + (2S,4S,5S)-5-{(S)-2-[((S)-2-Amino-3-phenyl-propionyl)-methyl-amino]-3-[1-(toluene-4-sulfonyl)-1H-imidazol-4-yl]-propionylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid [(1S,2S)-2-methyl-1-(methyl-pyridin-2-yl-carbamoyl)-butyl]-amide → N-α--L-phenylalanyl>-Nα-methyl-Nim-tosyl-L-histydyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>-2-pyridylmethylamine (130985-44-3)

Guidance literature:

With diethyl cyanophosphonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 18h;

DOI:10.1021/jm00106a026

Reference yield: 81.0%

5-bromo-3-fluoro-N1-(propan-2-yl)benzene-1,2-diamine + 3-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid (129765-95-3) → tert-butyl (4-{4-bromo-2-fluoro-6-[(propan-2-yl)amino]anilino}-2-methyl-4-oxobutan-2-yl)carbamate

Guidance literature:

With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; at 0 - 25 ℃; for 4h; Inert atmosphere;

upstream raw materials:

3-amino-3-methylbutanoic acid

di-tert-butyl dicarbonate

Downstream raw materials:

N-α--L-phenylalanyl>-N^α-methyl-N^im-tosyl-L-histydyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>-2-pyridylmethylamine

(2-{(S)-1-[2-((1S,2S)-3-{(1S,2S)-1-[(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-cyclohexylmethyl-2-hydroxy-propylcarbamoyl)-ethylcarbamoyl]-2-phenyl-ethylcarbamoyl}-1,1-dimethyl-ethyl)-carbamic acid tert-butyl ester

C₃₃H₄₅N₃O₅

methyl 3-<<(tert-butoxy)carbonyl>amino>-3-methylbutanoate

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