Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester
- Product Name
- Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester
- CAS No.
- 83249-10-9
- Chemical Name
- Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester
- Synonyms
- 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid;3-methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylate;112657;o[1.1.1]pentane-1-carboxyL;1-Methyl bicyclo[1.1.1]pentane-1,3- dicarboxylate;Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, 1-Methyl ester;Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester;Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acid 1-Monomethyl Ester;Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, monomethyl este...;1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid monomethyl ester
- CBNumber
- CB52639854
- Molecular Formula
- C8H10O4
- Formula Weight
- 170.16
- MOL File
- 83249-10-9.mol
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester Property
- Melting point:
- 138-139 °C(Solv: chloroform (67-66-3); heptane (142-82-5))
- Boiling point:
- 272.2±40.0 °C(Predicted)
- Density
- 1.559±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- form
- powder to crystal
- pka
- 4.50±0.40(Predicted)
- color
- White to Orange to Green
- InChI
- InChI=1S/C8H10O4/c1-12-6(11)8-2-7(3-8,4-8)5(9)10/h2-4H2,1H3,(H,9,10)
- InChIKey
- UJZHYIMESNWEQA-UHFFFAOYSA-N
- SMILES
- C12(C(OC)=O)CC(C(O)=O)(C1)C2
Safety
- RIDADR
- UN2811
- HS Code
- 2917198090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- PHB00015
- Product name
- Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, 1-methyl ester
- Purity
- AldrichCPR
- Packaging
- 100 mg
- Price
- $550
- Updated
- 2025/07/31
- Product number
- M3149
- Product name
- 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic Acid
- Packaging
- 200MG
- Price
- $161
- Updated
- 2025/07/31
- Product number
- M3149
- Product name
- 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic Acid
- Packaging
- 1G
- Price
- $484
- Updated
- 2025/07/31
- Product number
- B382905
- Product name
- Bicyclo[1.1.1]pentane-1,3-dicarboxylicAcid,1-methylEster
- Packaging
- 250mg
- Price
- $875
- Updated
- 2021/12/16
- Product number
- B382905
- Product name
- Bicyclo[1.1.1]pentane-1,3-dicarboxylicAcid,1-methylEster
- Packaging
- 5mg
- Price
- $50
- Updated
- 2021/12/16
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester Chemical Properties,Usage,Production
Uses
Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acid, 1-methyl Ester acts as a reagent for the synthesis and in the biopharmaceutical evaluation of imatinib analogs. Also functions as a reagent for the preparation and in biological evaluation of novel bicyclo[1.1.1]pentane-based acidic amino acids as glutamate receptors ligands It is a COVID19-related research product.
Synthesis
5781-53-3
35634-10-7
83249-10-9
The general procedure for the synthesis of methyl bicyclo[1.1.1]pentane-1-carboxylate-3-carboxylate from oxalyl chloride monomethyl ester and the compound (CAS:35634-10-7) was as follows: first, a solution of [1.1.1]propeller in Et2O (500 mL; 161 mmol, 1 eq.) was prepared independently, along with ethyl chloroacetate (16.3 mL, 177 mmol, 1.1 eq.) solution in Et2O (49.7 mL). The entire reactor was flushed for 5 min using pure Et2O (pump 1: 4.0 mL/min, pump 2: 0.5 mL/min). Subsequently, a solution of reagent (2) was injected at a flow rate of 4.0 mL/min at 0 to -80 °C, followed by a solution of reagent (3) at a flow rate of 0.5 mL/min at room temperature. The photoreactor was placed in an ice bath (volume 58 mL; FEP tube rotated over a lamp). After the reaction mixture left the photoreactor, it was quenched using an alkaline aqueous solution of NaOH, KOH, NaHCO3, or KHCO3. After vigorous stirring for 2 h, the aqueous layer was separated and acidified to pH = 1. Subsequently, the mixture was extracted with DCM (3 × 500 mL). The combined organic layers were dried over MgSO4, filtered and concentrated under reduced pressure to afford 3-(methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid (9, 17.5 g, 103 mmol, 63% yield), the product being a pale yellow solid.
References
[1] Patent: WO2017/157932, 2017, A1. Location in patent: Page/Page column 27
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester Suppliers
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- Product
- Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester 83249-10-9
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1000kg
- Release date
- 2025-06-19
- Product
- Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester 83249-10-9
- Price
- US $1.00/KG
- Min. Order
- 100g
- Purity
- 98%
- Supply Ability
- 200KG
- Release date
- 2019-12-17