Cas no 34812-95-8 (1,3-Di-tert-butyl 2-methylpropanedioate)

1,3-Di-tert-butyl 2-methylpropanedioate is a diester derivative of malonic acid, characterized by its tert-butyl and methyl substituents. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its sterically hindered tert-butyl groups enhance stability, reducing unwanted side reactions during synthetic processes. The methyl group further modifies reactivity, offering selectivity in nucleophilic or electrophilic transformations. The compound's high purity and well-defined structure make it suitable for precise applications in asymmetric synthesis and catalysis. Its low volatility and solid-state stability at room temperature facilitate handling and storage under standard laboratory conditions.

1,3-Di-tert-butyl 2-methylpropanedioate structure

34812-95-8 structure

Product Name:1,3-Di-tert-butyl 2-methylpropanedioate

CAS No:34812-95-8

MF:C₁₂H₂₂O₄

MW:230.300684452057

MDL:MFCD06797699

CID:1470813

PubChem ID:12530063

Update Time:2025-10-06

1,3-Di-tert-butyl 2-methylpropanedioate Chemical and Physical Properties

Names and Identifiers

- Propanedioic acid, methyl-, bis(1,1-dimethylethyl) ester
- 1,3-DI-TERT-BUTYL 2-METHYLPROPANEDIOATE
- ditert-butyl 2-methylpropanedioate
- di-t-butyl methylmalonate
- Di-tert-butyl methylpropanedioate
- 1,3-Di-tert-butyl2-methylpropanedioate
- SCHEMBL526638
- Di-tert-butyl2-methylmalonate
- Di-tert-butyl 2-methylmalonate
- SS-4736
- DTXSID30501499
- AKOS022168223
- 34812-95-8
- GBWGGPUIWKWJIT-UHFFFAOYSA-N
- G89812
- 1,3-Di-tert-butyl 2-methylpropanedioate
- MDL： MFCD06797699
- Inchi： 1S/C12H22O4/c1-8(9(13)15-11(2,3)4)10(14)16-12(5,6)7/h8H,1-7H3
- InChI Key： GBWGGPUIWKWJIT-UHFFFAOYSA-N
- SMILES： O(C(C(C)C(=O)OC(C)(C)C)=O)C(C)(C)C

Computed Properties

Exact Mass: 230.15186
Monoisotopic Mass: 230.15180918g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 16
Rotatable Bond Count: 6
Complexity: 240
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.7
Topological Polar Surface Area: 52.6?2

Experimental Properties

PSA: 52.6

1,3-Di-tert-butyl 2-methylpropanedioate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI XIAN DING Biotechnology Co., Ltd.	102760-500mg	Di-tert-butyl 2-methylmalonate	34812-95-8	>95%	500mg	3298CNY	2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.	102760-1g	Di-tert-butyl 2-methylmalonate	34812-95-8	>95%	1g	4518CNY	2021-05-08
TRC	D496338-10mg	1,3-Di-tert-butyl 2-methylpropanedioate	34812-95-8		10mg	$ 50.00	2022-06-05
TRC	D496338-50mg	1,3-Di-tert-butyl 2-methylpropanedioate	34812-95-8		50mg	$ 115.00	2022-06-05
TRC	D496338-100mg	1,3-Di-tert-butyl 2-methylpropanedioate	34812-95-8		100mg	$ 160.00	2022-06-05
Apollo Scientific	OR310525-5g	1,3-Di-tert-butyl 2-methylpropanedioate	34812-95-8		5g	￡545.00	2023-09-02
SHANG HAI XIAN DING Biotechnology Co., Ltd.	102760-500mg	Di-tert-butyl 2-methylmalonate	34812-95-8	>95%	500mg	3298.0CNY	2021-07-13
SHANG HAI XIAN DING Biotechnology Co., Ltd.	102760-1g	Di-tert-butyl 2-methylmalonate	34812-95-8	>95%	1g	4518.0CNY	2021-07-13
Chemenu	CM252385-1g	Di-tert-butyl 2-methylmalonate	34812-95-8	95%	1g	$***	2023-05-30
Chemenu	CM252385-5g	Di-tert-butyl 2-methylmalonate	34812-95-8	95%	5g	$***	2023-05-30