1,2-Cyclopentanedicarboxylic acid, (1R,2R)-rel-

HCID 727375
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Substructure searchFind similar structures

Basic information

CAS
1461-97-8
Standard SMILES
O=C(O)[C@@H]1CCC[C@H]1C(=O)O
InChIKey
ASJCSAKCMTWGAH-RFZPGFLSSA-N
Molecular formula
C7H10O4
Average molar mass
158.15 g/mol
Monoisotopic mass
158.0579088

Names & identifiers

Preferred name
1,2-Cyclopentanedicarboxylic acid, (1R,2R)-rel-
IUPAC
trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid
English name
trans-DL-1,2-Cyclopentanedicarboxylic acid
Molecular formula
C7H10O4
Molecular weight
158.15

Names & synonyms

1461-97-8trans-1,2-Cyclopentanedicarboxylic acid1,2-Cyclopentanedicarboxylic acid, (1R,2R)-rel-trans-DL-Cyclopentane-1,2-dicarboxylic acidDTXSID20883675EINECS 215-962-9RefChem:411473DTXCID901023181215-962-9trans-Cyclopentane-1,2-dicarboxylic acid(1r,2r)-cyclopentane-1,2-dicarboxylic acidtrans-DL-1,2-Cyclopentanedicarboxylic acid
Show more names
1,2-Cyclopentane DiforMic Acidtrans-DL-Cyclopentane-1,2-dicarbTranspentane-1,2-dicarboxylic acid1,2-cyclopentane dicarboxylic acidtrans-2-cyclopentanedicarboxylicacidrans-Cyclopentane-1,2-dicarboxylicaci1,2-CYCLOPENTANEDICARBOXYLIC ACID:98+%rans-DL-1,2-Cyclopentanedicarboxylic acid
MFCD00001376(1R,2R)-1beta,2alpha-Cyclopentanedicarboxylic acid17224-73-6(1R,2R)-1,2-Cyclopentanedicarboxylic acidSCHEMBL152715AKOS004908931trans-Cyclopentane-1,2-dicarboxylicacidBP-21463

Database identifiers

CAS
1461-97-8
PubChem CID
727375
DTXSID
DTXSID20883675
EC Number
215-962-9
Nikkaji
J82.596D

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
163 · 163-165 °C(lit.)
Boiling point
46 · 46-49 °C(Press: 110 Torr)
Density
1.396 · 1.396±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
DMSO; Methanol
pka
1 · pK1:3.96;pK2:5.85 (25°C)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
2917200090
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Cyclopentanedicarboxylic acid, (1R,2R)-rel-: INACTIVE
Applications · 1 item

Usestrans-1,2-Cyclopentanedicarboxylic Acid is used as a reagent in the synthesis of isoxazoline and oxazoline analogs of CDA54 as voltage gated sodium channel blockers. trans-1,2-Cyclopentanedicarboxylic Acid is also a reagent in the preparation of cyclopentanedicarboxamide sodium channel blockers as a potential treatment for chronic pain.

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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