methyl 7H-pyrrolo[2,3-d]pyrimidine-2-carboxylate - ≥97% , CAS No.1363380-73-7

CAS: 1363380-73-7 Cat. No.: M628582 Molecular Weight: 177.16 EC Number: 866-783-3 PubChem CID: 72207574
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
MFCD20922772 | 1363380-73-7 | METHYL7H-PYRROLO[2,3-D]PYRIMIDINE-2-CARBOXYLATE | METHYL 7H-PYRROLO[2,3-D]PYRIMIDINE-2-CARBOXYLATE | 7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid, methyl ester | AKOS025290043 | PB31168 | DTXSID401187883 | EN300-7410202 | AS
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
M628582-250mg
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$370.90

$556.90
Save $186.00 (33.40%)
500mg
M628582-500mg
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$667.90

$1,001.90
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1g
M628582-1g
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$1,201.90

$1,802.90
Save $601.00 (33.34%)
5g
M628582-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$4,506.90

$6,760.90
Save $2,254.00 (33.34%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
MFCD20922772 | 1363380-73-7 | METHYL7H-PYRROLO[2, 3-D]PYRIMIDINE-2-CARBOXYLATE | METHYL 7H-PYRROLO[2, 3-D]PYRIMIDINE-2-CARBOXYLATE | 7H-Pyrrolo[2, 3-d]pyrimidine-2-carboxylic acid, methyl ester | AKOS025290043 | PB31168 | DTXSID401187883 | EN300-7410202 | AS
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCOC(=O)C1=NC=C2C=CNC2=N1
IUPAC Namemethyl 7H-pyrrolo[2,3-d]pyrimidine-2-carboxylate
InChIKeyXVZJSGZZYLFRSZ-UHFFFAOYSA-N
INCHI1S/C8H7N3O2/c1-13-8(12)7-10-4-5-2-3-9-6(5)11-7/h2-4H,1H3,(H,9,10,11)
Isomeric SMILES COC(=O)C1=NC=C2C=CNC2=N1
Alternate CAS 1363380-73-7
PubChem CID 72207574
Molecular Weight 177.16

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Pyrimidinecarboxylic acids and derivatives
Direct ParentPyrimidinecarboxylic acids
Alternative Parents Pyrrolo[2,3-d]pyrimidines  Pyrroles  Methyl esters  Heteroaromatic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrrolo[2,3-d]pyrimidine - Pyrimidine-2-carboxylic acid - Pyrrolopyrimidine - Pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight177.160 g/mol
XLogP30.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass177.054 Da
Monoisotopic Mass177.054 Da
Topological Polar Surface Area67.900 Ų
Heavy Atom Count13
Formal Charge0
Complexity210.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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