Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-

HCID 83692CAS 13734-36-6
Substructure searchFind similar structures

Basic information

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 properties

XLogP
0.7
Topological polar surface area
66.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
13

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)

Safety & regulation

GHS classification

GHS Classification · 4 items

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

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

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
哈尔滨捷凯新材料有限公司15104587591; 18245017205 · [email protected]
南京一化生物科技有限公司13429882898; 13429882898
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

128 records
New reaction record

Linked notes

Loading…