tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate
Basic information
- CAS
87694-49-3- Standard SMILES
CON(C)C(=O)C(C)NC(=O)OC(C)(C)C- InChIKey
PWQIGBOSLQHOBT-UHFFFAOYSA-N- Molecular formula
- C10H20N2O4
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.14230712
Names & identifiers
- Preferred name
- tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate
- IUPAC
- tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
- English name
- Boc-Ala-n(OCH3)CH3
- Molecular formula
- C10H20N2O4
- Molecular weight
- 232.28
Names & synonyms
tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamateNSC 655435RefChem:38317787694-49-3342603-65-0tert-butyl (1-(methoxy(methyl)amino)-1-oxopropan-2-yl)carbamatetert-butyl N-{1-[methoxy(methyl)carbamoyl]ethyl}carbamateMFCD11977209N-Boc-DL-alanine N'-methoxy-N'-methylamideNSC655435Carbamic acid, N-[2-(methoxymethylamino)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl estertert-butyl N-[2-[methoxy(methyl)amino]-1-methyl-2-oxo-ethyl]carbamate
Show more names
EOS-60721Boc-Ala-N-OBoc-Ala-NMe(OMe)Boc-Ala-n(OCH3)CH3Boc-L-Ala-N(OCH3)CH3BOC-ALA-N(OCH3)CH3 USP/EP/BPBoc-L-alanine-N'-methoxy-N'-carboxamideN-Boc-L-alanine N'-Methoxy-N'-methylamide(S)-2-(Boc-aMino)-N-Methoxy-N-MethylpropanaMide
BOC-L-ALANINE N-METHOXY-N-METHYL AMIDEtert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamateSCHEMBL153319tert-butyl (S)-(1-(methoxy(methyl)amino)-1-oxopropan-2-yl)carbamate[(R)-1-(N-Methoxy-N-methyl-carbamoyl)-ethyl]-carbamic acid tert-butyl esterPWQIGBOSLQHOBT-UHFFFAOYSA-NDTXSID501007753SNA60365
Database identifiers
- CAS
87694-49-3- PubChem CID
- 375613
- DTXSID
DTXSID501007753- Nikkaji
- J1.819.458I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 148 · 148-153 °C (lit.)
- Density
- 1.07 · 1.070
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 11.19 · 11.19±0.46(Predicted)
- form
- Crystalline Powder or Powder
- color
- White to off-white
- optical activity
- 24 · [α]24/D 26°, c = 1 in methanol
- Major Application
- peptide synthesis
- InChI
- InChI=1/C10H20N2O4/c1-7(8(13)12(5)15-6)11-9(14)16-10(2,3)4/h7H,1-6H3,(H,11,14)/t7-/s3
- InChIKey
- PWQIGBOSLQHOBT-ZETCQYMHSA-N
- SMILES
- C(OC(C)(C)C)(=O)N[C@@H](C)C(N(OC)C)=O |&1:8,r|
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesReduced by LiAlH4 to give the corresponding Boc-amino acid aldehyde.
Usesα-Amino Weinreb amide.
Upstream & downstream products
Upstream raw materials
Related reactions
23 records
Compound notes
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