Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
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Basic information
- CAS
13734-36-6- Standard SMILES
CN(CC(=O)O)C(=O)OC(C)(C)C- InChIKey
YRXIMPFOTQVOHG-UHFFFAOYSA-N- Molecular formula
- C8H15NO4
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.10010796
Names & identifiers
- Preferred name
- Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
- IUPAC
- 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
- English name
- BOC-SAR-OH
- Molecular formula
- C8H15NO4
- Molecular weight
- 189.21
Names & synonyms
Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-N-(tert-butoxycarbonyl)-N-methylglycineEINECS 237-306-0[(tert-Butoxycarbonyl)(methyl)amino]acetic acidN-[(1,1-Dimethylethoxy)carbonyl]-N-methylglycineSARCOSINE,N-TERT.BUTYLOXYCARBONYLGlycine, N-((1,1-dimethylethoxy)carbonyl)-N-methyl-DTXSID9065603N-((1,1-Dimethylethoxy)carbonyl)-N-methylglycineN-((1,1-Dimethylethoxy)carbonyl)sarcosineN-[(1,1-dimethylethoxy)carbonyl]sarcosine((tert-Butoxycarbonyl)(methyl)amino)acetic acid
Show more names
BOC-SAR2-((tert-butoxycarbonyl)(Methyl)aMino)acetic acidBOC-MEGLY-OHBoc-L-Sar-OHBOC-N-ME-GLY-OHN-T-BOC-SARCOSINN-t-Boc-sarcosine
RefChem:663703DTXCID1034420237-306-0InChI=1/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11Boc-Sar-OH13734-36-6Boc-sarcosineN-Boc-sarcosine
Database identifiers
- CAS
13734-36-6- PubChem CID
- 83692
- DTXSID
DTXSID9065603- UNII
- 4WGM9CR39Q
- EC Number
- 237-306-0
- Nikkaji
- J266.801G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 88 · 88-90 °C
- Boiling point
- 324.46 °C · 324.46°C (rough estimate)
- Density
- 1.2321 · 1.2321 (rough estimate)
- refractive index
- 1.454 · 1.4540 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
- form
- Crystals or Crystalline Powder
- pka
- 4.03 · 4.03±0.10(Predicted)
- color
- White
- BRN
- 2046827 · 2046827
- Stability
- Hygroscopic
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)
- InChIKey
- YRXIMPFOTQVOHG-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CN(C(OC(C)(C)C)=O)C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 16-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31806
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29241990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H319-H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGlycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-: INACTIVE
Applications
UsesBoc-N-methylglycine is used in the preparation of Clavatustide A (C563723) and Clavatustide B (C563725), which have been shown to suppress the proliferation of human hepatocellular carcinoma cells under specific conditions.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
128 records
Compound notes
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