Basic information
- CAS
81477-94-3- Standard SMILES
CC(C)(C)OC(=O)CN=C(c1ccccc1)c1ccccc1- InChIKey
YSHDPXQDVKNPKA-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- N-(Diphenylmethylene)glycine tert-butyl ester
- IUPAC
- tert-butyl 2-(benzhydrylideneamino)acetate
- English name
- N-(Diphenylmethylene)glycerine tert-butyl ester
- Molecular formula
- C19H21NO2
- Molecular weight
- 295.38
Names & synonyms
N-(Diphenylmethylene)glycine tert-butyl esterRefChem:828464805-438-381477-94-3tert-Butyl 2-((diphenylmethylene)amino)acetateDiphenylmethylene-Glycine t-butyl estertert-butyl 2-(benzhydrylideneamino)acetatetert-butyl 2-(diphenylmethyleneamino)acetateMFCD00134280N-(diphenylmethylene)glycine t-butyl esterN-(Diphenylmethylene)glycine, t-Butyl EsterN-(Diphenylmethylene)glycerine tert-butyl ester
Show more names
AURORA KA-6707ycine tert-ButyLBP-GLY-OTBU SCHIFF BASE(C6H5)2C=NCH2CO2C(CH3)3N-(Diphenylmethylene)glycinetert-butyl 2-((diphenylmethyleETHYL (N-DIPHENYMETHYLENE)GLYCINATE
tert-butyl N-(diphenylmethylidene)glycinatetert-butyl [(diphenylmethylene)amino]acetateDPM-Gly-OtBu(Diphenylmethyleneamino)acetic Acid tert-Butyl Estertert-butyl 2-[(diphenylmethylidene)amino]acetateGlycine, N-(diphenylmethylene)-, 1,1-dimethylethyl estertert-Butyl (Diphenylmethyleneamino)acetateDIPHENYLMETHYLENE GLYCINE T-BUTYL ESTER
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 51 · 51-53 °C(lit.)
- Boiling point
- 377.5 · 377.5±34.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 2.31 · 2.31±0.50(Predicted)
- form
- crystal
- color
- white
- Water Solubility
- Insoluble in water.
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C19H21NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
- InChIKey
- YSHDPXQDVKNPKA-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)C/N=C(/C1=CC=CC=C1)\C1=CC=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)
Safety data
- F
- 10-21
- wgk
- 3
- tsca
- No
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
Usessuzuki reaction
UsesN-(Diphenylmethylene)glycine tert-butyl ester is a useful dye for biological research purposes. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司
Related reactions
55 records
Compound notes
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