Basic information
- CAS
15893-52-4- Standard SMILES
COc1ccc2c(c1)OC(O)C(=O)N2O- InChIKey
GDNZNIJPBQATCZ-UHFFFAOYSA-N- Molecular formula
- C9H9NO5
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.04807239
Overview
DIMBOA is a lactol that is DIBOA in which the hydrogen at position 7 is replaced by a methoxy group. It has been isolated from the maize plants. It has a role as an allelochemical and a plant metabolite. It is a cyclic hydroxamic acid, an aromatic ether, a lactol and a benzoxazine. It is functionally related to a DIBOA.
Names & identifiers
- Preferred name
- 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one
- IUPAC
- 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one
- English name
- 2,4-Dihydroxy-7-methoxy-2H,1,4-benzoxazin-3(4H)one
- Molecular formula
- C9H9NO5
- Molecular weight
- 211.17
Names & synonyms
DIMBOA15893-52-42,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one2H-1,4-BENZOXAZIN-3(4H)-ONE, 2,4-DIHYDROXY-7-METHOXY-2,4-Dihydroxy-7-methoxy-1,4-benzoxazinoneTI783RU0DR2,4-dihydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-oneCHEBI:18048DTXSID90936021RefChem:908756DTXCID10882733
Show more names
RMA-327Dimboa, 10 mM in DMSODIMBOA (2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one)7-Methoxy-2,4-dihydroxy-2H-1,4-benzooxazine-3(4H)-one
2,4-Dihydroxy-7-methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one2,4-Dihydroxy-7-methoxy-2H,1,4-benzoxazin-3(4H)oneMFCD01744500(+/-)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-oneUNII-TI783RU0DRBRN 1078658HBODIMBOA?
Database identifiers
- CAS
15893-52-4- PubChem CID
- 2358
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Melting Point168 - 169 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 150 · 150-155 °C
- Boiling point
- 461.3 · 461.3±55.0 °C(Predicted)
- Density
- 1.589 · 1.589±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.59 · 7.59±0.40(Predicted)
- color
- Light Orange to Red
- InChI
- InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
- InChIKey
- GDNZNIJPBQATCZ-UHFFFAOYSA-N
- SMILES
- O1C2=CC(OC)=CC=C2N(O)C(=O)C1O
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesDIMBOA acts as an antifungal and antialgal agent in crops. The benzoxazinone group within the structure allows for these effects.
Suppliers81 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
Nantong HI-FUTURE Biology Co., Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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