3-Methylpyrrole-2,4-dicarboxylic Acid - CAS 3780-41-4

Name: 3-Methylpyrrole-2,4-dicarboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023429
Product Name:	3-Methylpyrrole-2,4-dicarboxylic Acid
CAS:	3780-41-4
Synonyms:	3-methyl-1H-pyrrole-2,4-dicarboxylic acid; 3-methyl-1H-pyrrole-2,4-dicarboxylic acid

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	3-methyl-1H-pyrrole-2,4-dicarboxylic acid
Description:	3-Methylpyrrole-2,4-dicarboxylic Acid (CAS# 3780-41-4 ) is a useful research chemical.
Molecular Weight:	169.13
Molecular Formula:	C7H7NO4
Canonical SMILES:	CC1=C(NC=C1C(=O)O)C(=O)O
InChI:	InChI=1S/C7H7NO4/c1-3-4(6(9)10)2-8-5(3)7(11)12/h2,8H,1H3,(H,9,10)(H,11,12)
InChI Key:	DVIKMLHVAWYDMS-UHFFFAOYSA-N
Boiling Point:	482.1 °C at 760 mmHg
Density:	1.55 g/cm³
LogP:	0.71950

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Publication Number	Title	Priority Date
EP-2627661-A1	Glycosylated aminocoumarins and methods of preparing and uses of same	20101015
EP-2627661-B1	Glycosylated aminocoumarins and methods of preparing and uses of same	20101015
US-2013274213-A1	Glycosylated aminocoumarins and methods of preparing and uses of same	20101015
US-9045517-B2	Glycosylated aminocoumarins and methods of preparing and uses of same	20101015
WO-2012049521-A1	Glycosylated aminocoumarins and methods of preparing and uses of same	20101015

PMID	Publication Date	Title	Journal
21953874	20111125	Two pathways for pyrrole formation in coumermycin A(1) biosynthesis: the central pyrrole moiety is formed from L-threonine	Chembiochem : a European journal of chemical biology
17157010	20070215	13C bis-labeled pyrroles: a tool for the identification of the rat metabolism of 3-methyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester	Bioorganic & medicinal chemistry letters
15554710	20041130	Assembly of dimeric variants of coumermycins by tandem action of the four biosynthetic enzymes CouL, CouM, CouP, and NovN	Biochemistry
14987980	20040301	3-Methyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester: an exploration of the C-2 position. Part I	Farmaco (Societa chimica italiana : 1989)
14871503	20040201	3-Methyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester: an exploration of the C-2 position. Part II, A solid-phase approach	Farmaco (Societa chimica italiana : 1989)

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0375077
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	169.0375077
Rotatable Bond Count:	2
Topological Polar Surface Area:	90.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5