Lot numbers can be found on the outside label of a product:
Methyl 3,4-diaminobenzoate
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CAS No. 36692-49-6
- Cat. No. CS-W007431
- Purity≥98%
- MDL No.MFCD00017098
*For research and further manufacturing use only, not for direct human use.
Structure of 36692-49-6
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General Information
- CAS No. 36692-49-6
- Cat. No. CS-W007431
- Purity ≥98%
- MDL No. MFCD00017098
- Storage RT, sealed storage, away from moisture and light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₀N₂O₂
- Molecular Weight 166.18
- Synonym(s) None
- SMILES COC(C1=CC(N)=C(N)C=C1)=O
Description
Methyl 3,4-diaminobenzoate features two amino groups positioned ortho to each other on the aromatic ring, enabling strong coordination in metal complexes and enhancing solubility in polar solvents. This derivative serves as a key intermediate in pharmaceutical synthesis, where its dual amine functionality supports diverse coupling reactions.
Application
Methyl 3,4-diaminobenzoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted benzimidazoles and other heterocyclic scaffolds via cyclization reactions. Its dual amine functionalities offer orthogonal reactivity for selective derivatization, while the ester group facilitates downstream transformations. The compound exhibits good bench stability and is readily purified by recrystallization or chromatography, making it well-suited for use in multi-step synthetic sequences targeting bioactive molecules.
Synthesis
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Route1
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67-56-1 -
In-stock
619-05-6 - ~97%
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In-stock
36692-49-6
References
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Lee, Kyeong; Goo, Ja-Il; Jung, Hwa Young; Kim, Minkyoung; Boovanahalli, Shanthaveerappa K.; Park, Hye Ran; Kim, Mun-Ock; Kim, Dong-Hyun; Lee, Hyun Sun; Choi, Yongseok Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 24 p. 7456 - 7460
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Route2
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In-stock
619-05-6
- ~91%
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In-stock
36692-49-6
References
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Mitsui Chemicals, Inc. Patent: US5852011 A1, 1998 ;
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Route3
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22907-68-2 - ~%
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In-stock
36692-49-6
References
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Heterocycles, , vol. 32, # 11 p. 2093 - 2097
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS06
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Signal Word : Danger
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UN#: 2811
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H301
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Precautionary Statements : P264-P270-P330-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 78.34
- LogP 0.6376
- H_Acceptors 4
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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