(S)-2-(Boc-amino)-N-methoxy-N,3-dimethylbutanamide

Base Information

• Chemical Name: (S)-2-(Boc-amino)-N-methoxy-N,3-dimethylbutanamide
• CAS No.: 87694-52-8
• Molecular Formula: C12H24 N2 O4
• Molecular Weight: 260.334
• Hs Code.: 2924199090
• European Community (EC) Number: 688-492-9
• Nikkaji Number: J1.469.969D
• Wikidata: Q76415084
• Mol file: 87694-52-8.mol

Synonyms:87694-52-8;Boc-val-n(och3)ch3;(S)-2-(Boc-amino)-N-methoxy-N,3-dimethylbutanamide;(S)-tert-Butyl (1-(methoxy(methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate;N-(tert-Butoxycarbonyl)-L-valine N'-methoxy-N'-methylamide;tert-butyl (S)-(1-(methoxy(methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate;tert-Butyl N-[(2S)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate;(S)-tert-butyl 1-(methoxy(methyl)amino)-3-methyl-1-oxobutan-2-ylcarbamate;N-Boc-L-valine N'-methoxy-N'-methylamide;MFCD00151897;tert-butyl n-((2s)-1-(methoxy(methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate;TERT-BUTYL N-[(1S)-1-[METHOXY(METHYL)CARBAMOYL]-2-METHYLPROPYL]CARBAMATE;SCHEMBL1655475;RRBFCGUIFHFYQK-VIFPVBQESA-N;AKOS024386612;AS-74502;CS-0060835;W17577;N-alpha-t-Butyloxycarbonyl-N-methyl-N-methoxy-L-valine amide;N-(tert-Butoxycarbonyl)-L-valine N'-methoxy-N'-methylamide, 97%;(S)-[1-(Methoxy-methyl-carbamoyl)-2-methyl-propyl]-carbamic acid-tert-butyl ester;(S)-tert-Butyl(1-(methoxy(methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate;N2-{[(1,1-dimethylethyl)oxy]carbonyl}-N1-methyl-N1-(methyloxy)-L-valinamide;Carbamic acid,[(1S)-1-[(methoxymethylamino)carbonyl]-2-methylpropyl]-,1,1-dimethylethyl ester

Chemical Property of (S)-2-(Boc-amino)-N-methoxy-N,3-dimethylbutanamide

Chemical Property:

• Refractive Index: n20/D 1.454(lit.)
• Boiling Point: 235oC(lit.)
• PKA: 11.11±0.46(Predicted)
• Flash Point: >230 °F
• PSA: 67.87000
• Density: 1.46 g/mL at 25oC(lit.)
• LogP: 1.94640
• Storage Temp.: Store at 0-5°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 260.17360725
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

Boc-L-valine N-methoxy-N-methyl amide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)N(C)OC)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC(C)[C@@H](C(=O)N(C)OC)NC(=O)OC(C)(C)C
• Uses: Reduced by LiAlH4 to give the corresponding Boc amino acid aldehyde.

Technology Process of (S)-2-(Boc-amino)-N-methoxy-N,3-dimethylbutanamide

There total 10 articles about (S)-2-(Boc-amino)-N-methoxy-N,3-dimethylbutanamide 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%

t-Boc-L-valine (13734-41-3) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → tert-butyl (S)-1-(N-methoxy-N-methylcarbamoyl)-2-methylpropylcarbamate (87694-52-8)

Guidance literature:

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; In N,N-dimethyl-formamide; at 4 ℃;

DOI:10.1248/cpb.47.423

Reference yield: 98.0%

t-Boc-L-valine (13734-41-3) + N,0-dimethylhydroxylamine (1117-97-1) → tert-butyl (S)-1-(N-methoxy-N-methylcarbamoyl)-2-methylpropylcarbamate (87694-52-8)

Guidance literature:

t-Boc-L-valine; N,0-dimethylhydroxylamine; With triethylamine; at 0 ℃;

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine;

DOI:10.1081/NCN-100002563

Reference yield: 82.0%

→ tert-butyl (S)-1-(N-methoxy-N-methylcarbamoyl)-2-methylpropylcarbamate (87694-52-8)

Guidance literature:

upstream raw materials:

t-Boc-L-valine

N,O-dimethylhydroxylamine*hydrochloride

N,0-dimethylhydroxylamine

1,1-dimethylethyl S-N-(1-fluorocarbonyl-2-methylpropyl)carbamate

Downstream raw materials:

(3S)-3-(tert-butyloxycarbonylamino)-4-methyl-1-phenylpentan-2-one

(S)-N-tert-butoxycarbonylvalinal

(S)-tert-butyl (3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate

[1-(4-fluoro-benzoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester