Basic information
- CAS
16466-61-8- Standard SMILES
CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C- InChIKey
TYSZETYVESRFNT-UHFFFAOYSA-N- Molecular formula
- C10H20N2O4
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.14230712
Names & identifiers
- Preferred name
- Di-tert-butyl bicarbamate
- IUPAC
- tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
- English name
- Di-tert-butyl hydrazodicarboxylate
- Molecular formula
- C10H20N2O4
- Molecular weight
- 232.28
Names & synonyms
16466-61-8Di-tert-butyl bicarbamateEINECS 240-512-3DTXSID70167790RefChem:586104DTXCID2090281240-512-3DI-TERT-BUTYL HYDRAZODICARBOXYLATEDi-tert-butyl hydrazine-1,2-dicarboxylateDi-tert-butyl hydrazodiformateMFCD00015000tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
Show more names
1,2-bis(t-butyloxycarbonyl)hydrazineDBHDSKL269N,N'-DI-BOC-HYDRAZINELABOTEST-BB LT00453977TERT-BUTYL HYDRAZODIFORMATEDi-t-butylhydrazodicarboxylate
tert-butyl N-(tert-butoxycarbonylamino)carbamateDL-tert-Butyl HydrazodicarboxylateSCHEMBL2841411,2-Hydrazinedicarboxylic acid, bis(1,1-dimethylethyl) ester1,2-Hydrazinedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) esterN'-[(tert-butoxy)carbonyl](tert-butoxy)carbohydrazideAKOS015899816CS-W001467
Database identifiers
- CAS
16466-61-8- PubChem CID
- 85431
- DTXSID
DTXSID70167790
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 123 · 123-126 °C (dec.)(lit.)
- Boiling point
- 294.6 · 294.6±9.0 °C(Predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 8.73 · 8.73±0.43(Predicted)
- form
- Powder or Crystalline Powder
- color
- White
- Water Solubility
- Insoluble in water.
- BRN
- 1794023 · 1794023
- InChI
- InChI=1S/C10H20N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)
- InChIKey
- TYSZETYVESRFNT-UHFFFAOYSA-N
- SMILES
- N(C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29280000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesDi-tert-butyl hydrazodicarboxylate, is used as starting reagent during the four-step synthesis of the aminobicyclopyrazolone hydrochloride. It was used as reagent during Pd-catalyzed amination reactions of halo-pyridine substrates.
UsesDi-tert-butyl hydrazodiformate was used as starting reagent during the four-step synthesis of the aminobicyclopyrazolone hydrochloride. It was used as reagent during Pd-catalyzed amination reactions of halo-pyridine substrates.
General DescriptionDi-tert-butyl hydrazodiformate acts as hydrazine substrate during the preparation of protected pyridylhydrazine derivatives.
Upstream & downstream products
Upstream raw materials
Related reactions
856 records
Compound notes
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