Cas no 1158749-79-1 (tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate)

Tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate is a spirocyclic amine derivative commonly employed as a versatile intermediate in organic synthesis and pharmaceutical research. Its rigid spirocyclic structure enhances conformational stability, making it valuable for constructing complex molecular frameworks. The tert-butyloxycarbonyl (Boc) protecting group ensures selective reactivity, facilitating further functionalization under controlled conditions. This compound is particularly useful in medicinal chemistry for developing bioactive molecules, including protease inhibitors and receptor modulators. Its high purity and well-defined reactivity profile contribute to reliable performance in multi-step syntheses. The spirocyclic core also offers potential for exploring novel drug scaffolds with improved pharmacokinetic properties.

tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate structure

1158749-79-1 structure

Product Name:tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate

CAS No:1158749-79-1

MF:C₁₁H₂₀N₂O₂

MW:212.288702964783

MDL:MFCD12406509

CID:831961

PubChem ID:53484530

Update Time:2025-10-06

tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate Chemical and Physical Properties

Names and Identifiers

- 1,6-Diazaspiro[3.4]octane-6-carboxylic acid, 1,1-dimethylethyl ester
- 1,6-Diazaspiro[3.4]octane-6-carboxylic acid tert-butyl ester
- TERT-BUTYL 1,6-DIAZASPIRO[3.4]OCTANE-6-CARBOXYLATE
- 6-BOC-1,6-DIAZASPIRO[3.4]OCTANE
- KB-127540
- KB-44698
- MolPort-015-164-404
- PB15072
- RP07468
- 1,6-Diaza-spiro[3.4]octane-6-carboxylic acid tert-butyl ester
- W-204857
- SY096856
- tert-Butyl1,6-diazaspiro[3.4]octane-6-carboxylate
- DB-369004
- 1158749-79-1
- tert-butyl 1,7-diazaspiro[3.4]octane-7-carboxylate
- N6-Boc,-1,6-Diazaspiro[3.4]octane
- AS-30021
- DTXSID20704073
- CS-0000689
- J-504031
- AKOS015950369
- MFCD12406509
- SCHEMBL16633027
- tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate
- MDL： MFCD12406509
- Inchi： 1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-5-11(8-13)4-6-12-11/h12H,4-8H2,1-3H3
- InChI Key： HXUGSDLGHNRSJZ-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(N1CCC2(C1)CCN2)=O

Computed Properties

Exact Mass: 212.1526
Monoisotopic Mass: 212.152477885g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 15
Rotatable Bond Count: 3
Complexity: 272
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.8
Topological Polar Surface Area: 41.6?2

Experimental Properties

Color/Form: Colorless to Yellow Liquid
Density: 1.10±0.1 g/cm3 (20 oC 760 Torr),
Boiling Point: 301.3±15.0 °C at 760 mmHg
Flash Point: 136.0±20.4 °C
Solubility: Slightly soluble (25 g/l) (25 o C),
PSA: 41.57
Vapor Pressure: 0.0±0.6 mmHg at 25°C

tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate Security Information

Signal Word：Warning
Hazard Statement： H302;H315;H319;H335
Warning Statement： P261;P305+P351+P338
Safety Instruction： H303+H313+H333
Storage Condition：2-8 °C

tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Alichem	A289000869-250mg	tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylate	1158749-79-1	95%	250mg	$567.00	2023-09-04
Alichem	A289000869-1g	tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylate	1158749-79-1	95%	1g	$1417.50	2023-09-04
SHANG HAI XIANG HUI YI YAO Technology Co., Ltd.	CB41394-0.1g	tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate	1158749-79-1	97%	0.1g	2164.00	2021-06-01
SHANG HAI XIANG HUI YI YAO Technology Co., Ltd.	CB41394-0.25g	tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate	1158749-79-1	97%	0.25g	4247.00	2021-06-01
SHANG HAI XIANG HUI YI YAO Technology Co., Ltd.	CB41394-1g	tert-butyl 1,6-diazaspiro[3.4]octane-6-carboxylate	1158749-79-1	97%	1g	10598.00	2021-06-01
ChemScence	CS-0000689-100mg	tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylate	1158749-79-1		100mg	$245.0	2022-04-28
ChemScence	CS-0000689-250mg	tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylate	1158749-79-1		250mg	$368.0	2022-04-28
ChemScence	CS-0000689-1g	tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylate	1158749-79-1		1g	$979.0	2022-04-28
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	T31150-100mg	tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylate	1158749-79-1	97%	100mg	￥1152.0	2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	T31150-250mg	tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylate	1158749-79-1	97%	250mg	￥1872.0	2024-07-18