N-Boc-propargylamine - CAS 92136-39-5

Catalog:	BB040436
Product Name:	N-Boc-propargylamine
CAS:	92136-39-5
Synonyms:	tert-butyl N-prop-2-ynylcarbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-prop-2-ynylcarbamate
Description:	N-Boc-propargylamine (CAS# 92136-39-5) is used in the preparation of triazolobenzylidene-thiazolopyrimidines which act as CDC25 phosphatase inhibitors. Also used in the synthesis of β-glucan polysaccharide analogs.
Molecular Weight:	155.19
Molecular Formula:	C8H13NO2
Canonical SMILES:	CC(C)(C)OC(=O)NCC#C
InChI:	InChI=1S/C8H13NO2/c1-5-6-9-7(10)11-8(2,3)4/h1H,6H2,2-4H3,(H,9,10)
InChI Key:	DSPYCWLYGXGJNJ-UHFFFAOYSA-N
Boiling Point:	222.5 ℃ at 760 mmHg
Purity:	98 %
Density:	0.99 g/cm³
MDL:	MFCD07367245
LogP:	1.53520

Publication Number	Title	Priority Date
US-2021309606-A1	Novel N-aryl Oxamic Acids	20200406
WO-2021206787-A1	Novel n-aryl oxamic acids	20200406
WO-2021188948-A1	Mdm2 degraders and uses thereof	20200319
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
JP-2021119130-A	A drug consisting of a fused lactam derivative	20200129

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Related Functional Groups

Amines and Anilines

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Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[618-40-6]
1-Methyl-1-phenylhydrazine
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine
[351-28-0]
3'-Fluoroacetanilide

GHS Hazard Statement:	H302 (95.65%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.094628657
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1